 | | GR2 | | Name: | (3E,3aR,8bS)-3-({[(2R)-4-methyl-5-oxo-2,5-dihydrofuran-2-yl]oxy}methylidene)-3,3a,4,8b-tetrahydro-2H-indeno[1,2-b]furan-2-one | | Formula: | C17 H14 O5 | | SMILES: | c12CC3C(c1cccc2)OC(=O)C3=[C@H]OC4C=C(C)C(=O)O4 | | InChi: | InChI=1S/C17H14O5/c1-9-6-14(21-16(9)18)20-8-13-12-7-10-4-2-3-5-11(10)15(12)22-17(13)19/h2-6,8,12,14-15H,7H2,1H3/b13-8+/t12-,14-,15-/m1/s1 | | Definition date: | 2015-09-02 | | Last modified: | 2024-11-19 | | Release date: | 2015-10-28 | | Identifier: | (3E,3aR,8bS)-3-({[(2R)-4-methyl-5-oxo-2,5-dihydrofuran-2-yl]oxy}methylidene)-3,3a,4,8b-tetrahydro-2H-indeno[1,2-b]furan-2-one |
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 | | XR3 | | Name: | N-[[(3S)-1-oxidanyl-3H-2,1-benzoxaborol-3-yl]methyl]-4-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]benzenesulfonamide | | Formula: | C14 H13 B N2 O6 S | | SMILES: | O[B-]1O[CH](CN[S](=O)(=O)c2ccc(cc2)[N+]([O-])=O)c3ccccc13 | | InChi: | InChI=1S/C14H14BN2O6S/c18-15-13-4-2-1-3-12(13)14(23-15)9-16-24(21,22)11-7-5-10(6-8-11)17(19)20/h1-8,14-16,18H,9H2/q-1/t14-,15-/m1/s1 | | Definition date: | 2023-11-08 | | Last modified: | 2024-11-15 | | Release date: | 2024-11-20 | | Identifier: | ~{N}-[[(3~{S})-1-oxidanyl-3~{H}-2,1-benzoxaborol-3-yl]methyl]-4-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]benzenesulfonamide |
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 | | XR9 | | Name: | (9S)-7-oxidanyl-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-triene-9-carbonitrile | | Formula: | C8 H6 B N O2 | | SMILES: | O[B-]1O[CH](C#N)c2ccccc12 | | InChi: | InChI=1S/C8H7BNO2/c10-5-8-6-3-1-2-4-7(6)9(11)12-8/h1-4,8-9,11H/q-1/t8-,9-/m1/s1 | | Definition date: | 2023-11-08 | | Last modified: | 2024-11-15 | | Release date: | 2024-11-20 | | Identifier: | (9~{S})-7-oxidanyl-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-triene-9-carbonitrile |
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 | | XSH | | Name: | ~{N}-[(2~{R})-1-[4-[[2,4-bis(azanyl)quinazolin-5-yl]oxymethyl]piperidin-1-yl]-1-oxidanylidene-pent-4-yn-2-yl]ethanamide | | Formula: | C21 H26 N6 O3 | | SMILES: | CC(=O)N[CH](CC#C)C(=O)N1CCC(CC1)COc2cccc3nc(N)nc(N)c23 | | InChi: | InChI=1S/C21H26N6O3/c1-3-5-16(24-13(2)28)20(29)27-10-8-14(9-11-27)12-30-17-7-4-6-15-18(17)19(22)26-21(23)25-15/h1,4,6-7,14,16H,5,8-12H2,2H3,(H,24,28)(H4,22,23,25,26)/t16-/m1/s1 | | Definition date: | 2023-11-09 | | Last modified: | 2024-11-15 | | Release date: | 2024-11-20 | | Identifier: | ~{N}-[(2~{R})-1-[4-[[2,4-bis(azanyl)quinazolin-5-yl]oxymethyl]piperidin-1-yl]-1-oxidanylidene-pent-4-yn-2-yl]ethanamide |
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 | | Y6F | | Name: | MMV009108 | | Formula: | C21 H25 N3 O2 S2 | | SMILES: | CCN(CC)S(=O)(=O)c1ccc(cc1)c1csc(Nc2ccc(C)c(C)c2)n1 | | InChi: | InChI=1S/C21H25N3O2S2/c1-5-24(6-2)28(25,26)19-11-8-17(9-12-19)20-14-27-21(23-20)22-18-10-7-15(3)16(4)13-18/h7-14H,5-6H2,1-4H3,(H,22,23) | | Synonyms: | 4-[2-(3,4-dimethylanilino)-1,3-thiazol-4-yl]-N,N-diethylbenzene-1-sulfonamide | | Definition date: | 2023-11-21 | | Last modified: | 2024-11-15 | | Release date: | 2024-11-20 | | Identifier: | 4-[2-(3,4-dimethylanilino)-1,3-thiazol-4-yl]-N,N-diethylbenzene-1-sulfonamide |
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 | | XTQ | | Name: | 2-[(2~{R})-1-azanyl-4-methyl-pentan-2-yl]-5-pyridin-3-yl-isoquinolin-1-one | | Formula: | C20 H23 N3 O | | SMILES: | CC(C)C[CH](CN)N1C=Cc2c(cccc2c3cccnc3)C1=O | | InChi: | InChI=1S/C20H23N3O/c1-14(2)11-16(12-21)23-10-8-18-17(15-5-4-9-22-13-15)6-3-7-19(18)20(23)24/h3-10,13-14,16H,11-12,21H2,1-2H3 | | Definition date: | 2023-11-10 | | Last modified: | 2024-11-15 | | Release date: | 2024-11-20 | | Identifier: | 2-[(2~{R})-1-azanyl-4-methyl-pentan-2-yl]-5-pyridin-3-yl-isoquinolin-1-one |
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 | | XWD | | Name: | 4-[3-(4-fluoranyl-2~{H}-indazol-7-yl)-1,2,4-oxadiazol-5-yl]-1-(4-fluorophenyl)azepan-2-one | | Formula: | | | SMILES: | Fc1ccc(cc1)N2CCC[CH](CC2=O)c3onc(n3)c4ccc(F)c5c[nH]nc45 | | InChi: | InChI=1S/C21H17F2N5O2/c22-13-3-5-14(6-4-13)28-9-1-2-12(10-18(28)29)21-25-20(27-30-21)15-7-8-17(23)16-11-24-26-19(15)16/h3-8,11-12H,1-2,9-10H2,(H,24,26)/t12-/m1/s1 | | Definition date: | 2023-11-14 | | Last modified: | 2024-11-15 | | Release date: | 2024-11-20 | | Identifier: | 4-[3-(4-fluoranyl-2~{H}-indazol-7-yl)-1,2,4-oxadiazol-5-yl]-1-(4-fluorophenyl)azepan-2-one |
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 | | A1AFE | | Name: | 11-[1-(1H-pyrrolo[3,2-c]pyridine-7-carbonyl)piperidin-4-ylidene]-6,11-dihydro-5H-5lambda~6~-dibenzo[b,e]thiepine-5,5-dione | | Formula: | C27 H23 N3 O3 S | | SMILES: | O=C(c1cncc2cc[NH]c21)N1CC/C(CC1)=C1/c2ccccc2S(=O)(=O)Cc2ccccc12 | | InChi: | InChI=1S/C27H23N3O3S/c31-27(23-16-28-15-19-9-12-29-26(19)23)30-13-10-18(11-14-30)25-21-6-2-1-5-20(21)17-34(32,33)24-8-4-3-7-22(24)25/h1-9,12,15-16,29H,10-11,13-14,17H2 | | Synonyms: | NZ-804 | | Definition date: | 2024-02-23 | | Last modified: | 2024-11-15 | | Release date: | 2024-11-20 | | Identifier: | 11-[1-(1H-pyrrolo[3,2-c]pyridine-7-carbonyl)piperidin-4-ylidene]-6,11-dihydro-5H-5lambda~6~-dibenzo[b,e]thiepine-5,5-dione |
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 | | YCR | | Name: | 3-(5-chloranylpyridin-3-yl)-6-(1,3-dimethyl-5-oxidanyl-pyrazol-4-yl)carbonyl-1,5-dimethyl-quinazoline-2,4-dione | | Formula: | C21 H18 Cl N5 O4 | | SMILES: | Cn1nc(C)c(c1O)C(=O)c2ccc3N(C)C(=O)N(c4cncc(Cl)c4)C(=O)c3c2C | | InChi: | InChI=1S/C21H18ClN5O4/c1-10-14(18(28)17-11(2)24-26(4)19(17)29)5-6-15-16(10)20(30)27(21(31)25(15)3)13-7-12(22)8-23-9-13/h5-9,29H,1-4H3 | | Definition date: | 2023-11-29 | | Last modified: | 2024-11-15 | | Release date: | 2024-11-20 | | Identifier: | 3-(5-chloranylpyridin-3-yl)-6-(1,3-dimethyl-5-oxidanyl-pyrazol-4-yl)carbonyl-1,5-dimethyl-quinazoline-2,4-dione |
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 | | YCZ | | Name: | ~{N}-(1-methyl-1,2,3,4-tetrazol-5-yl)-3-propylsulfanyl-5-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide | | Formula: | C13 H13 F3 N8 O S | | SMILES: | CCCSc1nnc2n1c(ccc2C(=O)Nc3nnnn3C)C(F)(F)F | | InChi: | InChI=1S/C13H13F3N8OS/c1-3-6-26-12-20-18-9-7(4-5-8(24(9)12)13(14,15)16)10(25)17-11-19-21-22-23(11)2/h4-5H,3,6H2,1-2H3,(H,17,19,22,25) | | Definition date: | 2023-11-30 | | Last modified: | 2024-11-15 | | Release date: | 2024-11-20 | | Identifier: | ~{N}-(1-methyl-1,2,3,4-tetrazol-5-yl)-3-propylsulfanyl-5-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide |
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 | | YD2 | | Name: | 3-(4-fluorophenyl)-1,6-dimethyl-7-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-quinazoline-2,4-dione | | Formula: | C23 H19 F N2 O5 | | SMILES: | CN1C(=O)N(C(=O)c2cc(C)c(cc12)C(=O)C3=C(O)CCCC3=O)c4ccc(F)cc4 | | InChi: | InChI=1S/C23H19FN2O5/c1-12-10-16-17(11-15(12)21(29)20-18(27)4-3-5-19(20)28)25(2)23(31)26(22(16)30)14-8-6-13(24)7-9-14/h6-11,27H,3-5H2,1-2H3 | | Definition date: | 2023-11-30 | | Last modified: | 2024-11-15 | | Release date: | 2024-11-20 | | Identifier: | 3-(4-fluorophenyl)-1,6-dimethyl-7-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-quinazoline-2,4-dione |
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 | | YDF | | Name: | 4-(2-fluoranylethyl)-1,6-dimethyl-7-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3~{H}-1,4-benzodiazepine-2,5-dione | | Formula: | C20 H21 F N2 O5 | | SMILES: | CN1C(=O)CN(CCF)C(=O)c2c(C)c(ccc12)C(=O)C3=C(O)CCCC3=O | | InChi: | InChI=1S/C20H21FN2O5/c1-11-12(19(27)18-14(24)4-3-5-15(18)25)6-7-13-17(11)20(28)23(9-8-21)10-16(26)22(13)2/h6-7,24H,3-5,8-10H2,1-2H3 | | Definition date: | 2023-11-30 | | Last modified: | 2024-11-15 | | Release date: | 2024-11-20 | | Identifier: | 4-(2-fluoranylethyl)-1,6-dimethyl-7-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3~{H}-1,4-benzodiazepine-2,5-dione |
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 | | YFC | | Name: | 2-[[4-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]-3-oxidanylidene-1,4-benzothiazin-6-yl]-oxidanyl-methylidene]cyclohexane-1,3-dione | | Formula: | C24 H21 N O5 S | | SMILES: | Cc1ccc(cc1)C(=O)CN2C(=O)CSc3ccc(cc23)[C](O)=[C]4C(=O)C[CH2]CC4=O | | InChi: | InChI=1S/C24H21NO5S/c1-14-5-7-15(8-6-14)20(28)12-25-17-11-16(9-10-21(17)31-13-22(25)29)24(30)23-18(26)3-2-4-19(23)27/h5-11,30H,2-4,12-13H2,1H3 | | Definition date: | 2023-11-30 | | Last modified: | 2024-11-15 | | Release date: | 2024-11-20 | | Identifier: | 2-[[4-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]-3-oxidanylidene-1,4-benzothiazin-6-yl]-oxidanyl-methylidene]cyclohexane-1,3-dione |
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 | | XPU | | Name: | 2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-1-sulfonamide | | Formula: | C13 H20 B N O4 S | | SMILES: | CC1(C)OB(OC1(C)C)c1ccc(c(C)c1)S(N)(=O)=O | | InChi: | InChI=1S/C13H20BNO4S/c1-9-8-10(6-7-11(9)20(15,16)17)14-18-12(2,3)13(4,5)19-14/h6-8H,1-5H3,(H2,15,16,17) | | Definition date: | 2023-11-07 | | Last modified: | 2024-11-15 | | Release date: | 2024-11-20 | | Identifier: | 2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-1-sulfonamide |
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 | | XQN | | Name: | 4-chloranyl-N-[[(3S)-1-oxidanyl-3H-2,1$l^{4}-benzoxaborol-3-yl]methyl]benzenesulfonamide | | Formula: | C14 H13 B Cl N O4 S | | SMILES: | O[B-]1O[CH](CN[S](=O)(=O)c2ccc(Cl)cc2)c3ccccc13 | | InChi: | InChI=1S/C14H14BClNO4S/c16-10-5-7-11(8-6-10)22(19,20)17-9-14-12-3-1-2-4-13(12)15(18)21-14/h1-8,14-15,17-18H,9H2/q-1/t14-,15-/m1/s1 | | Definition date: | 2023-11-08 | | Last modified: | 2024-11-15 | | Release date: | 2024-11-20 | | Identifier: | 4-chloranyl-~{N}-[[(3~{S})-1-oxidanyl-3~{H}-2,1$l^{4}-benzoxaborol-3-yl]methyl]benzenesulfonamide |
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 | | K5O | | Name: | Ziftomenib | | Formula: | C33 H42 F3 N9 O2 S2 | | SMILES: | CS(=O)(=O)N1CCN(CC1)C(C)Cn1c2ccc(CN3CCC(CC3)Nc3nc(nc4sc(cc34)CC(F)(F)F)NC)c(C)c2cc1C#N | | InChi: | InChI=1S/C33H42F3N9O2S2/c1-21(43-11-13-44(14-12-43)49(4,46)47)19-45-25(18-37)15-27-22(2)23(5-6-29(27)45)20-42-9-7-24(8-10-42)39-30-28-16-26(17-33(34,35)36)48-31(28)41-32(38-3)40-30/h5-6,15-16,21,24H,7-14,17,19-20H2,1-4H3,(H2,38,39,40,41)/t21-/m0/s1 | | Definition date: | 2023-06-02 | | Last modified: | 2024-11-15 | | Release date: | 2024-11-20 | | Identifier: | 1-{(2S)-2-[4-(methanesulfonyl)piperazin-1-yl]propyl}-4-methyl-5-[(4-{[2-(methylamino)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1H-indole-2-carbonitrile |
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 | | OO0 | | Name: | ALLIIN | | Formula: | C6 H11 N O3 S | | SMILES: | N[CH](C[S](=O)CC=C)C(O)=O | | InChi: | InChI=1S/C6H11NO3S/c1-2-3-11(10)4-5(7)6(8)9/h2,5H,1,3-4,7H2,(H,8,9)/t5-,11+/m0/s1 | | Synonyms: | 2-azanyl-3-prop-2-enylsulfinyl-propanoic acid | | Definition date: | 2024-01-22 | | Last modified: | 2024-11-15 | | Release date: | 2024-11-20 | | Identifier: | 2-azanyl-3-prop-2-enylsulfinyl-propanoic acid |
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 | | WT6 | | Name: | ~{N}-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide | | Formula: | C13 H16 N2 O3 S | | SMILES: | C=CC(=O)Nc1ccc(cc1)[S](=O)(=O)N2CCCC2 | | InChi: | InChI=1S/C13H16N2O3S/c1-2-13(16)14-11-5-7-12(8-6-11)19(17,18)15-9-3-4-10-15/h2,5-8H,1,3-4,9-10H2,(H,14,16) | | Definition date: | 2023-05-18 | | Last modified: | 2024-11-15 | | Release date: | 2024-11-20 | | Identifier: | ~{N}-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide |
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 | | WTB | | Name: | (2~{S})-~{N}-(3-methoxyphenyl)-1-[4-(prop-2-enoylamino)phenyl]sulfonyl-pyrrolidine-2-carboxamide | | Formula: | C21 H23 N3 O5 S | | SMILES: | COc1cccc(NC(=O)[CH]2CCCN2[S](=O)(=O)c3ccc(NC(=O)C=C)cc3)c1 | | InChi: | InChI=1S/C21H23N3O5S/c1-3-20(25)22-15-9-11-18(12-10-15)30(27,28)24-13-5-8-19(24)21(26)23-16-6-4-7-17(14-16)29-2/h3-4,6-7,9-12,14,19H,1,5,8,13H2,2H3,(H,22,25)(H,23,26)/t19-/m0/s1 | | Definition date: | 2023-05-18 | | Last modified: | 2024-11-15 | | Release date: | 2024-11-20 | | Identifier: | (2~{S})-~{N}-(3-methoxyphenyl)-1-[4-(prop-2-enoylamino)phenyl]sulfonyl-pyrrolidine-2-carboxamide |
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 | | WTK | | Name: | ~{N}-(3-methoxy-4-pyrrolidin-1-ylsulfonyl-phenyl)propanamide | | Formula: | C14 H20 N2 O4 S | | SMILES: | CCC(=O)Nc1ccc(c(OC)c1)[S](=O)(=O)N2CCCC2 | | InChi: | InChI=1S/C14H20N2O4S/c1-3-14(17)15-11-6-7-13(12(10-11)20-2)21(18,19)16-8-4-5-9-16/h6-7,10H,3-5,8-9H2,1-2H3,(H,15,17) | | Synonyms: | WT6 | | Definition date: | 2023-05-18 | | Last modified: | 2024-11-15 | | Release date: | 2024-11-20 | | Identifier: | ~{N}-(3-methoxy-4-pyrrolidin-1-ylsulfonyl-phenyl)propanamide |
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 | | WTU | | Name: | ~{N}-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide | | Formula: | C13 H18 N2 O3 S | | SMILES: | CCC(=O)Nc1ccc(cc1)[S](=O)(=O)N2CCCC2 | | InChi: | InChI=1S/C13H18N2O3S/c1-2-13(16)14-11-5-7-12(8-6-11)19(17,18)15-9-3-4-10-15/h5-8H,2-4,9-10H2,1H3,(H,14,16) | | Synonyms: | WT6 | | Definition date: | 2023-05-18 | | Last modified: | 2024-11-15 | | Release date: | 2024-11-20 | | Identifier: | ~{N}-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide |
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 | | WV3 | | Name: | 4-{(2R)-2-[(1R,3S,5S)-3,5-dimethyl-2-oxocyclohexyl]-2-hydroxyethyl}piperidine-2,6-dione | | Formula: | C15 H23 N O4 | | SMILES: | O=C1CC(CC(O)C2CC(C)CC(C)C2=O)CC(=O)N1 | | InChi: | InChI=1S/C15H23NO4/c1-8-3-9(2)15(20)11(4-8)12(17)5-10-6-13(18)16-14(19)7-10/h8-12,17H,3-7H2,1-2H3,(H,16,18,19) | | Definition date: | 2023-10-13 | | Last modified: | 2024-11-15 | | Release date: | 2024-11-20 | | Identifier: | 4-{(2R)-2-[(1R,3S,5S)-3,5-dimethyl-2-oxocyclohexyl]-2-hydroxyethyl}piperidine-2,6-dione |
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 | | A1H0U | | Name: | 7-methoxy-4,4-dimethyl-10~{H}-[1,3,5]triazino[1,2-a]benzimidazol-2-amine | | Formula: | C12 H15 N5 O | | SMILES: | COc1ccc2NC3=NC(=NC(C)(C)N3c2c1)N | | InChi: | InChI=1S/C12H15N5O/c1-12(2)16-10(13)15-11-14-8-5-4-7(18-3)6-9(8)17(11)12/h4-6H,1-3H3,(H3,13,14,15,16) | | Definition date: | 2023-12-18 | | Last modified: | 2024-11-15 | | Release date: | 2024-11-20 | | Identifier: | 7-methoxy-4,4-dimethyl-10~{H}-[1,3,5]triazino[1,2-a]benzimidazol-2-amine |
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 | | A1H0V | | Name: | 1-[5,6-bis(chloranyl)-1~{H}-benzimidazol-2-yl]guanidine | | Formula: | C8 H7 Cl2 N5 | | SMILES: | NC(=N)Nc1[nH]c2cc(Cl)c(Cl)cc2n1 | | InChi: | InChI=1S/C8H7Cl2N5/c9-3-1-5-6(2-4(3)10)14-8(13-5)15-7(11)12/h1-2H,(H5,11,12,13,14,15) | | Definition date: | 2023-12-18 | | Last modified: | 2024-11-15 | | Release date: | 2024-11-20 | | Identifier: | 1-[5,6-bis(chloranyl)-1~{H}-benzimidazol-2-yl]guanidine |
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 | | A1H0W | | Name: | 1-(5-methoxy-1~{H}-benzimidazol-2-yl)guanidine | | Formula: | C9 H11 N5 O | | SMILES: | COc1ccc2[nH]c(NC(N)=N)nc2c1 | | InChi: | InChI=1S/C9H11N5O/c1-15-5-2-3-6-7(4-5)13-9(12-6)14-8(10)11/h2-4H,1H3,(H5,10,11,12,13,14) | | Synonyms: | O-PHOSPHONO-D-THREONINE | | Definition date: | 2023-12-18 | | Last modified: | 2024-11-15 | | Release date: | 2024-11-20 | | Identifier: | 1-(5-methoxy-1~{H}-benzimidazol-2-yl)guanidine |
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