 | | Y0M | | Name: | 8-[fluoro(dihydroxy)-lambda~4~-sulfanyl]-N-(2-methoxypyridin-3-yl)-2,3-dihydro-1,4-benzodioxine-5-sulfonamide | | Formula: | C14 H13 F N2 O7 S2 | | SMILES: | COc1ncccc1NS(=O)(=O)c1ccc(c2OCCOc12)S(F)(=O)=O | | InChi: | InChI=1S/C14H13FN2O7S2/c1-22-14-9(3-2-6-16-14)17-26(20,21)11-5-4-10(25(15,18)19)12-13(11)24-8-7-23-12/h2-6,17H,7-8H2,1H3 | | Definition date: | 2022-12-20 | | Last modified: | 2023-12-01 | | Release date: | 2023-12-06 | | Identifier: | 8-[(2-methoxypyridin-3-yl)sulfamoyl]-2,3-dihydro-1,4-benzodioxine-5-sulfonyl fluoride |
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 | | Y0P | | Name: | 8-[bis(oxidanyl)-$l^{3}-sulfanyl]-~{N}-(3-fluoranyl-5-methoxy-phenyl)-2,3-dihydro-1,4-benzodioxine-5-sulfonamide | | Formula: | C15 H13 F2 N O7 S2 | | SMILES: | Fc1cc(cc(OC)c1)NS(=O)(=O)c1ccc(c2OCCOc12)S(F)(=O)=O | | InChi: | InChI=1S/C15H13F2NO7S2/c1-23-11-7-9(16)6-10(8-11)18-27(21,22)13-3-2-12(26(17,19)20)14-15(13)25-5-4-24-14/h2-3,6-8,18H,4-5H2,1H3 | | Definition date: | 2022-12-20 | | Last modified: | 2023-12-01 | | Release date: | 2023-12-06 | | Identifier: | 8-[(3-fluoro-5-methoxyphenyl)sulfamoyl]-2,3-dihydro-1,4-benzodioxine-5-sulfonyl fluoride |
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 | | VP6 | | Name: | (3-azanyl-4-fluoranyl-5,7,8,9-tetrahydropyrido[4,3-c]azepin-6-yl)-[6-(2-oxidanylpropan-2-yl)-1H-indol-2-yl]methanone | | Formula: | C21 H23 F N4 O2 | | SMILES: | CC(C)(O)c1ccc2cc([nH]c2c1)C(=O)N3CCCc4cnc(N)c(F)c4C3 | | InChi: | InChI=1S/C21H23FN4O2/c1-21(2,28)14-6-5-12-8-17(25-16(12)9-14)20(27)26-7-3-4-13-10-24-19(23)18(22)15(13)11-26/h5-6,8-10,25,28H,3-4,7,11H2,1-2H3,(H2,23,24) | | Definition date: | 2023-08-02 | | Last modified: | 2023-12-01 | | Release date: | 2023-12-06 | | Identifier: | (3-azanyl-4-fluoranyl-5,7,8,9-tetrahydropyrido[4,3-c]azepin-6-yl)-[6-(2-oxidanylpropan-2-yl)-1~{H}-indol-2-yl]methanone |
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 | | WNH | | Name: | {(2R)-1-[(4M)-4-[1-(piperidin-4-yl)-1H-pyrazol-4-yl]-6-(trifluoromethyl)pyrimidin-2-yl]azetidin-2-yl}methanol | | Formula: | C17 H21 F3 N6 O | | SMILES: | FC(F)(F)c1cc(nc(n1)N1CCC1CO)c1cn(nc1)C1CCNCC1 | | InChi: | InChI=1S/C17H21F3N6O/c18-17(19,20)15-7-14(23-16(24-15)25-6-3-13(25)10-27)11-8-22-26(9-11)12-1-4-21-5-2-12/h7-9,12-13,21,27H,1-6,10H2/t13-/m1/s1 | | Definition date: | 2023-10-09 | | Last modified: | 2023-12-01 | | Release date: | 2023-12-06 | | Identifier: | {(2R)-1-[(4M)-4-[1-(piperidin-4-yl)-1H-pyrazol-4-yl]-6-(trifluoromethyl)pyrimidin-2-yl]azetidin-2-yl}methanol |
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 | | X4R | | Name: | (2S,4R)-1-[(2S)-2-[6-[(3S)-4-[4-[5-[(4S)-2-azanyl-3-cyano-4-methyl-6,7-dihydro-5H-1-benzothiophen-4-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]-3-methyl-1,4-diazepan-1-yl]hexanoylamino]-3,3-dimethyl-butanoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide | | Formula: | C50 H64 N12 O5 S2 | | SMILES: | C[CH]1CN(CCCCCC(=O)N[CH](C(=O)N2C[CH](O)C[CH]2C(=O)NCc3ccc(cc3)c4scnc4C)C(C)(C)C)CCCN1c5nccc(n5)c6noc(n6)[C]7(C)CCCc8sc(N)c(C#N)c78 | | InChi: | InChI=1S/C50H64N12O5S2/c1-30-27-60(22-11-23-61(30)48-53-20-18-36(56-48)44-58-47(67-59-44)50(6)19-10-12-38-40(50)35(25-51)43(52)69-38)21-9-7-8-13-39(64)57-42(49(3,4)5)46(66)62-28-34(63)24-37(62)45(65)54-26-32-14-16-33(17-15-32)41-31(2)55-29-68-41/h14-18,20,29-30,34,37,42,63H,7-13,19,21-24,26-28,52H2,1-6H3,(H,54,65)(H,57,64)/t30-,34+,37-,42+,50-/m0/s1 | | Definition date: | 2023-10-23 | | Last modified: | 2023-12-01 | | Release date: | 2023-12-06 | | Identifier: | (2~{S},4~{R})-1-[(2~{S})-2-[6-[(3~{S})-4-[4-[5-[(4~{S})-2-azanyl-3-cyano-4-methyl-6,7-dihydro-5~{H}-1-benzothiophen-4-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]-3-methyl-1,4-diazepan-1-yl]hexanoylamino]-3,3-dimethyl-butanoyl]-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide |
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 | | X53 | | Name: | (2S,4R)-1-[(2R)-2-[3-[4-[(3S)-4-[4-[5-[(4S)-2-azanyl-3-cyano-4-methyl-6,7-dihydro-5H-1-benzothiophen-4-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]-3-methyl-1,4-diazepan-1-yl]butoxy]-1,2-oxazol-5-yl]-3-methyl-butanoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide | | Formula: | C50 H60 N12 O6 S2 | | SMILES: | CC(C)[CH](C(=O)N1C[CH](O)C[CH]1C(=O)NCc2ccc(cc2)c3scnc3C)c4onc(OCCCCN5CCCN([CH](C)C5)c6nccc(n6)c7noc(n7)[C]8(C)CCCc9sc(N)c(C#N)c89)c4 | | InChi: | InChI=1S/C50H60N12O6S2/c1-29(2)41(47(65)62-27-34(63)22-37(62)46(64)54-25-32-11-13-33(14-12-32)43-31(4)55-28-69-43)38-23-40(58-67-38)66-21-7-6-18-60-19-9-20-61(30(3)26-60)49-53-17-15-36(56-49)45-57-48(68-59-45)50(5)16-8-10-39-42(50)35(24-51)44(52)70-39/h11-15,17,23,28-30,34,37,41,63H,6-10,16,18-22,25-27,52H2,1-5H3,(H,54,64)/t30-,34+,37-,41+,50-/m0/s1 | | Definition date: | 2023-10-23 | | Last modified: | 2023-12-01 | | Release date: | 2023-12-06 | | Identifier: | (2~{S},4~{R})-1-[(2~{R})-2-[3-[4-[(3~{S})-4-[4-[5-[(4~{S})-2-azanyl-3-cyano-4-methyl-6,7-dihydro-5~{H}-1-benzothiophen-4-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]-3-methyl-1,4-diazepan-1-yl]butoxy]-1,2-oxazol-5-yl]-3-methyl-butanoyl]-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide |
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 | | VQE | | Name: | (1S,3S)-N3-(5-pentan-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamine | | Formula: | C16 H25 N5 | | SMILES: | CCC(CC)c1cc(N[CH]2CC[CH](N)C2)n3nccc3n1 | | InChi: | InChI=1S/C16H25N5/c1-3-11(4-2)14-10-16(19-13-6-5-12(17)9-13)21-15(20-14)7-8-18-21/h7-8,10-13,19H,3-6,9,17H2,1-2H3 | | Definition date: | 2023-08-03 | | Last modified: | 2023-12-01 | | Release date: | 2023-12-06 | | Identifier: | (1~{S},3~{S})-~{N}3-(5-pentan-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamine |
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 | | XLR | | Name: | 1,5,6-trideoxy-6,6-difluoro-1-(N-hydroxyformamido)-6-phosphono-D-ribo-hexitol | | Formula: | C7 H14 F2 N O8 P | | SMILES: | FC(F)(CC(O)C(O)C(O)CN(O)C=O)P(=O)(O)O | | InChi: | InChI=1S/C7H14F2NO8P/c8-7(9,19(16,17)18)1-4(12)6(14)5(13)2-10(15)3-11/h3-6,12-15H,1-2H2,(H2,16,17,18)/t4-,5+,6-/m1/s1 | | Definition date: | 2022-11-29 | | Last modified: | 2023-12-01 | | Release date: | 2023-12-06 | | Identifier: | 1,5,6-trideoxy-6,6-difluoro-1-(N-hydroxyformamido)-6-phosphono-D-ribo-hexitol |
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 | | JHU | | Name: | [4-[[2-chloranyl-6-(methylamino)purin-9-yl]methyl]phenyl]methanol | | Formula: | C14 H14 Cl N5 O | | SMILES: | CNc1nc(Cl)nc2n(Cc3ccc(CO)cc3)cnc12 | | InChi: | InChI=1S/C14H14ClN5O/c1-16-12-11-13(19-14(15)18-12)20(8-17-11)6-9-2-4-10(7-21)5-3-9/h2-5,8,21H,6-7H2,1H3,(H,16,18,19) | | Definition date: | 2023-08-07 | | Last modified: | 2023-12-01 | | Release date: | 2023-12-06 | | Identifier: | [4-[[2-chloranyl-6-(methylamino)purin-9-yl]methyl]phenyl]methanol |
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 | | JIB | | Name: | 4-[[2-chloranyl-6-(methylamino)purin-9-yl]methyl]benzoic acid | | Formula: | C14 H12 Cl N5 O2 | | SMILES: | CNc1nc(Cl)nc2n(Cc3ccc(cc3)C(O)=O)cnc12 | | InChi: | InChI=1S/C14H12ClN5O2/c1-16-11-10-12(19-14(15)18-11)20(7-17-10)6-8-2-4-9(5-3-8)13(21)22/h2-5,7H,6H2,1H3,(H,21,22)(H,16,18,19) | | Definition date: | 2023-08-07 | | Last modified: | 2023-12-01 | | Release date: | 2023-12-06 | | Identifier: | 4-[[2-chloranyl-6-(methylamino)purin-9-yl]methyl]benzoic acid |
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 | | JII | | Name: | 2-chloranyl-9-[(3-methoxyphenyl)methyl]-~{N}-methyl-purin-6-amine | | Formula: | C14 H14 Cl N5 O | | SMILES: | CNc1nc(Cl)nc2n(Cc3cccc(OC)c3)cnc12 | | InChi: | InChI=1S/C14H14ClN5O/c1-16-12-11-13(19-14(15)18-12)20(8-17-11)7-9-4-3-5-10(6-9)21-2/h3-6,8H,7H2,1-2H3,(H,16,18,19) | | Definition date: | 2023-08-07 | | Last modified: | 2023-12-01 | | Release date: | 2023-12-06 | | Identifier: | 2-chloranyl-9-[(3-methoxyphenyl)methyl]-~{N}-methyl-purin-6-amine |
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 | | JIR | | Name: | 3-[[2-chloranyl-6-(methylamino)purin-9-yl]methyl]benzenecarbonitrile | | Formula: | C14 H11 Cl N6 | | SMILES: | CNc1nc(Cl)nc2n(Cc3cccc(c3)C#N)cnc12 | | InChi: | InChI=1S/C14H11ClN6/c1-17-12-11-13(20-14(15)19-12)21(8-18-11)7-10-4-2-3-9(5-10)6-16/h2-5,8H,7H2,1H3,(H,17,19,20) | | Definition date: | 2023-08-07 | | Last modified: | 2023-12-01 | | Release date: | 2023-12-06 | | Identifier: | 3-[[2-chloranyl-6-(methylamino)purin-9-yl]methyl]benzenecarbonitrile |
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 | | JNC | | Name: | 5-chloranyl-3-[(3-chlorophenyl)methyl]-~{N}-methyl-2~{H}-pyrazolo[4,3-d]pyrimidin-7-amine | | Formula: | C13 H11 Cl2 N5 | | SMILES: | CNc1nc(Cl)nc2c(Cc3cccc(Cl)c3)[nH]nc12 | | InChi: | InChI=1S/C13H11Cl2N5/c1-16-12-11-10(17-13(15)18-12)9(19-20-11)6-7-3-2-4-8(14)5-7/h2-5H,6H2,1H3,(H,19,20)(H,16,17,18) | | Definition date: | 2023-08-08 | | Last modified: | 2023-12-01 | | Release date: | 2023-12-06 | | Identifier: | 5-chloranyl-3-[(3-chlorophenyl)methyl]-~{N}-methyl-2~{H}-pyrazolo[4,3-d]pyrimidin-7-amine |
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 | | JO0 | | Name: | 2-chloranyl-9-[(3-chlorophenyl)methyl]-~{N}-cyclopropyl-7,8-dihydropurin-6-amine | | Formula: | C15 H15 Cl2 N5 | | SMILES: | Clc1cccc(CN2CNc3c(NC4CC4)nc(Cl)nc23)c1 | | InChi: | InChI=1S/C15H15Cl2N5/c16-10-3-1-2-9(6-10)7-22-8-18-12-13(19-11-4-5-11)20-15(17)21-14(12)22/h1-3,6,11,18H,4-5,7-8H2,(H,19,20,21) | | Definition date: | 2023-08-08 | | Last modified: | 2023-12-01 | | Release date: | 2023-12-06 | | Identifier: | 2-chloranyl-9-[(3-chlorophenyl)methyl]-~{N}-cyclopropyl-7,8-dihydropurin-6-amine |
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 | | K1O | | Name: | 2-chloranyl-N-methyl-9-[[3-(1H-1,2,3,4-tetrazol-5-yl)phenyl]methyl]purin-6-amine | | Formula: | C14 H12 Cl N9 | | SMILES: | CNc1nc(Cl)nc2n(Cc3cccc(c3)c4[nH]nnn4)cnc12 | | InChi: | InChI=1S/C14H12ClN9/c1-16-12-10-13(19-14(15)18-12)24(7-17-10)6-8-3-2-4-9(5-8)11-20-22-23-21-11/h2-5,7H,6H2,1H3,(H,16,18,19)(H,20,21,22,23) | | Definition date: | 2023-08-10 | | Last modified: | 2023-12-01 | | Release date: | 2023-12-06 | | Identifier: | 2-chloranyl-~{N}-methyl-9-[[3-(1~{H}-1,2,3,4-tetrazol-5-yl)phenyl]methyl]purin-6-amine |
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 | | LN3 | | Name: | (2~{S})-2-[[(2~{S})-2-[[(2~{S})-2-[12-[[4-[[5-(4-carboxyphenyl)-1,3-thiazol-2-yl]amino]-4-oxidanylidene-butanoyl]-(2-hydroxy-2-oxoethyl)amino]dodecanoylamino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]butanedioic acid | | Formula: | C40 H52 N6 O17 S | | SMILES: | OC(=O)C[CH](NC(=O)[CH](CC(O)=O)NC(=O)[CH](CC(O)=O)NC(=O)CCCCCCCCCCCN(CC(O)=O)C(=O)CCC(=O)Nc1sc(cn1)c2ccc(cc2)C(O)=O)C(O)=O | | InChi: | InChI=1S/C40H52N6O17S/c47-29(42-25(18-32(50)51)36(58)43-26(19-33(52)53)37(59)44-27(39(62)63)20-34(54)55)10-8-6-4-2-1-3-5-7-9-17-46(22-35(56)57)31(49)16-15-30(48)45-40-41-21-28(64-40)23-11-13-24(14-12-23)38(60)61/h11-14,21,25-27H,1-10,15-20,22H2,(H,42,47)(H,43,58)(H,44,59)(H,50,51)(H,52,53)(H,54,55)(H,56,57)(H,60,61)(H,62,63)(H,41,45,48)/t25-,26-,27-/m0/s1 | | Definition date: | 2023-08-21 | | Last modified: | 2023-12-01 | | Release date: | 2023-12-06 | | Identifier: | (2~{S})-2-[[(2~{S})-2-[[(2~{S})-2-[12-[[4-[[5-(4-carboxyphenyl)-1,3-thiazol-2-yl]amino]-4-oxidanylidene-butanoyl]-(2-hydroxy-2-oxoethyl)amino]dodecanoylamino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]butanedioic acid |
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 | | BJT | | Name: | [(2~{R},3~{S},4~{S})-2-[(2~{S},3~{S},4~{R},5~{R},6~{S})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4-bis(oxidanyl)-5-[oxidanyl-[(2~{R},3~{S},4~{S})-2,3,4-tris(oxidanyl)-5-[oxidanyl-[(2~{R},3~{S},4~{S})-2,3,4,5-tetrakis(oxidanyl)pentoxy]phosphoryl]oxy-pentoxy]phosphoryl]oxy-pentyl] [(2~{S},3~{R},4~{R})-2,3,4-tris(oxidanyl)-5-phosphonooxy-pentyl] hydrogen phosphate | | Formula: | C26 H56 O34 P4 | | SMILES: | OC[CH](O)[CH](O)[CH](O)CO[P](O)(=O)OC[CH](O)[CH](O)[CH](O)CO[P](O)(=O)OC[CH](O)[CH](O)[CH](CO[P](O)(=O)OC[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O)O[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O | | InChi: | InChI=1S/C26H56O34P4/c27-1-10(29)19(36)12(31)4-53-62(46,47)54-5-14(33)21(38)15(34)6-55-63(48,49)57-8-16(35)22(39)18(60-26-25(42)24(41)23(40)17(2-28)59-26)9-58-64(50,51)56-7-13(32)20(37)11(30)3-52-61(43,44)45/h10-42H,1-9H2,(H,46,47)(H,48,49)(H,50,51)(H2,43,44,45)/t10-,11+,12+,13-,14-,15+,16-,17-,18+,19-,20+,21-,22-,23-,24+,25-,26-/m0/s1 | | Definition date: | 2021-12-08 | | Last modified: | 2023-12-01 | | Release date: | 2023-12-06 | | Identifier: | [(2~{R},3~{S},4~{S})-2-[(2~{S},3~{S},4~{R},5~{R},6~{S})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4-bis(oxidanyl)-5-[oxidanyl-[(2~{R},3~{S},4~{S})-2,3,4-tris(oxidanyl)-5-[oxidanyl-[(2~{R},3~{S},4~{S})-2,3,4,5-tetrakis(oxidanyl)pentoxy]phosphoryl]oxy-pentoxy]phosphoryl]oxy-pentyl] [(2~{S},3~{R},4~{R})-2,3,4-tris(oxidanyl)-5-phosphonooxy-pentyl] hydrogen phosphate |
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 | | T3X | | Name: | 4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}-3-[(1H-pyrazolo[3,4-b]pyridin-5-yl)ethynyl]benzamide | | Formula: | C29 H27 F3 N6 O | | SMILES: | FC(F)(F)c1cc(ccc1CN1CCN(C)CC1)NC(=O)c1cc(C#Cc2cc3cn[NH]c3nc2)c(C)cc1 | | InChi: | InChI=1S/C29H27F3N6O/c1-19-3-5-22(14-21(19)6-4-20-13-24-17-34-36-27(24)33-16-20)28(39)35-25-8-7-23(26(15-25)29(30,31)32)18-38-11-9-37(2)10-12-38/h3,5,7-8,13-17H,9-12,18H2,1-2H3,(H,35,39)(H,33,34,36) | | Definition date: | 2023-08-28 | | Last modified: | 2023-12-01 | | Release date: | 2023-12-06 | | Identifier: | 4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}-3-[(1H-pyrazolo[3,4-b]pyridin-5-yl)ethynyl]benzamide |
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 | | AV0 | | Name: | Lauryl Maltose Neopentyl Glycol | | Formula: | C47 H88 O22 | | SMILES: | C2(C(C(O)C(OC1OC(CO)C(O)C(O)C1O)C(CO)O2)O)OCC(CCCCCCCCCC)(CCCCCCCCCC)COC4OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C4O | | InChi: | InChI=1S/C47H88O22/c1-3-5-7-9-11-13-15-17-19-47(20-18-16-14-12-10-8-6-4-2,25-62-43-39(60)35(56)41(29(23-50)66-43)68-45-37(58)33(54)31(52)27(21-48)64-45)26-63-44-40(61)36(57)42(30(24-51)67-44)69-46-38(59)34(55)32(53)28(22-49)65-46/h27-46,48-61H,3-26H2,1-2H3/t27-,28-,29-,30-,31-,32-,33+,34+,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-/m1/s1 | | Synonyms: | 2,2-didecylpropane-1,3-bis-b-D-maltopyranoside | | Definition date: | 2018-11-21 | | Last modified: | 2023-12-01 | | Release date: | 2019-03-27 | | Identifier: | 2-decyl-2-{[(4-O-alpha-D-glucopyranosyl-beta-D-glucopyranosyl)oxy]methyl}dodecyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside |
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 | | FKX | | Name: | 3-(2-methylpropyl)-2-oxo-2,3-dihydro-1H-benzimidazole-5-carboxylic acid | | Formula: | C12 H14 N2 O3 | | SMILES: | O=C(O)c1ccc2NC(=O)N(CC(C)C)c2c1 | | InChi: | InChI=1S/C12H14N2O3/c1-7(2)6-14-10-5-8(11(15)16)3-4-9(10)13-12(14)17/h3-5,7H,6H2,1-2H3,(H,13,17)(H,15,16) | | Definition date: | 2023-07-20 | | Last modified: | 2023-12-01 | | Release date: | 2023-12-06 | | Identifier: | 3-(2-methylpropyl)-2-oxo-2,3-dihydro-1H-benzimidazole-5-carboxylic acid |
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 | | HI8 | | Name: | (6M)-1-[(2R)-3,3-dimethylbutan-2-yl]-6-[(5S)-5-methyl-4-oxo-5-phenyl-4,5-dihydro-1H-imidazol-2-yl]-1,3-dihydro-2H-benzimidazol-2-one | | Formula: | C23 H26 N4 O2 | | SMILES: | O=C1N=C(NC1(C)c1ccccc1)c1ccc2NC(=O)N(c2c1)C(C)C(C)(C)C | | InChi: | InChI=1S/C23H26N4O2/c1-14(22(2,3)4)27-18-13-15(11-12-17(18)24-21(27)29)19-25-20(28)23(5,26-19)16-9-7-6-8-10-16/h6-14H,1-5H3,(H,24,29)(H,25,26,28)/t14-,23+/m1/s1 | | Definition date: | 2023-07-21 | | Last modified: | 2023-12-01 | | Release date: | 2023-12-06 | | Identifier: | (6M)-1-[(2R)-3,3-dimethylbutan-2-yl]-6-[(5S)-5-methyl-4-oxo-5-phenyl-4,5-dihydro-1H-imidazol-2-yl]-1,3-dihydro-2H-benzimidazol-2-one |
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 | | I9V | | Name: | 2-[(1-carbamimidamido-4-chloranyl-isoquinolin-7-yl)sulfonylamino]-2-methyl-propanoic acid | | Formula: | C14 H16 Cl N5 O4 S | | SMILES: | CC(C)(N[S](=O)(=O)c1ccc2c(Cl)cnc(NC(N)=N)c2c1)C(O)=O | | InChi: | InChI=1S/C14H16ClN5O4S/c1-14(2,12(21)22)20-25(23,24)7-3-4-8-9(5-7)11(19-13(16)17)18-6-10(8)15/h3-6,20H,1-2H3,(H,21,22)(H4,16,17,18,19) | | Synonyms: | UK-371804 | | Definition date: | 2022-06-20 | | Last modified: | 2023-12-01 | | Release date: | 2023-12-06 | | Identifier: | 2-[(1-carbamimidamido-4-chloranyl-isoquinolin-7-yl)sulfonylamino]-2-methyl-propanoic acid |
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 | | IT6 | | Name: | 2-chloranyl-~{N},9-dimethyl-purin-6-amine | | Formula: | C7 H8 Cl N5 | | SMILES: | CNc1nc(Cl)nc2n(C)cnc12 | | InChi: | InChI=1S/C7H8ClN5/c1-9-5-4-6(12-7(8)11-5)13(2)3-10-4/h3H,1-2H3,(H,9,11,12) | | Definition date: | 2023-08-03 | | Last modified: | 2023-12-01 | | Release date: | 2023-12-06 | | Identifier: | 2-chloranyl-~{N},9-dimethyl-purin-6-amine |
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 | | ITJ | | Name: | 5-chloranyl-~{N},3-dimethyl-1~{H}-pyrazolo[4,3-d]pyrimidin-7-amine | | Formula: | C7 H8 Cl N5 | | SMILES: | CNc1nc(Cl)nc2c(C)n[nH]c12 | | InChi: | InChI=1S/C7H8ClN5/c1-3-4-5(13-12-3)6(9-2)11-7(8)10-4/h1-2H3,(H,12,13)(H,9,10,11) | | Definition date: | 2023-08-03 | | Last modified: | 2023-12-01 | | Release date: | 2023-12-06 | | Identifier: | 5-chloranyl-~{N},3-dimethyl-1~{H}-pyrazolo[4,3-d]pyrimidin-7-amine |
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 | | IU2 | | Name: | 2-chloranyl-~{N}-methyl-9-phenyl-purin-6-amine | | Formula: | C12 H10 Cl N5 | | SMILES: | CNc1nc(Cl)nc2n(cnc12)c3ccccc3 | | InChi: | InChI=1S/C12H10ClN5/c1-14-10-9-11(17-12(13)16-10)18(7-15-9)8-5-3-2-4-6-8/h2-7H,1H3,(H,14,16,17) | | Definition date: | 2023-08-03 | | Last modified: | 2023-12-01 | | Release date: | 2023-12-06 | | Identifier: | 2-chloranyl-~{N}-methyl-9-phenyl-purin-6-amine |
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