 | | WB7 | | Name: | 1-[(2-chlorophenyl)methyl]-N-{[4-(methylsulfonyl)phenyl]methyl}-4',5'-dihydrospiro[piperidine-4,7'-thieno[2,3-c]pyran]-2'-carboxamide | | Formula: | C27 H29 Cl N2 O4 S2 | | SMILES: | O=C(NCc1ccc(S(=O)(=O)C)cc1)c4sc5C2(CCN(CC2)Cc3ccccc3Cl)OCCc5c4 | | InChi: | InChI=1S/C27H29ClN2O4S2/c1-36(32,33)22-8-6-19(7-9-22)17-29-26(31)24-16-20-10-15-34-27(25(20)35-24)11-13-30(14-12-27)18-21-4-2-3-5-23(21)28/h2-9,16H,10-15,17-18H2,1H3,(H,29,31) | | Definition date: | 2020-10-07 | | Last modified: | 2021-04-16 | | Release date: | 2021-04-21 | | Identifier: | 1-[(2-chlorophenyl)methyl]-N-{[4-(methylsulfonyl)phenyl]methyl}-4',5'-dihydrospiro[piperidine-4,7'-thieno[2,3-c]pyran]-2'-carboxamide |
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 | | WBG | | Name: | 3-(cyclohex-1-en-1-yl)-6-(4-methoxyphenyl)-2-phenyl-5-[(pyridin-2-yl)amino]pyrazolo[1,5-a]pyrimidin-7(4H)-one | | Formula: | C30 H27 N5 O2 | | SMILES: | c1cnc(cc1)NC5=C(C(n3c(c(c(c2ccccc2)n3)C4=CCCCC4)N5)=O)c6ccc(cc6)OC | | InChi: | InChI=1S/C30H27N5O2/c1-37-23-17-15-21(16-18-23)26-28(32-24-14-8-9-19-31-24)33-29-25(20-10-4-2-5-11-20)27(34-35(29)30(26)36)22-12-6-3-7-13-22/h3,6-10,12-19,33H,2,4-5,11H2,1H3,(H,31,32) | | Definition date: | 2020-10-07 | | Last modified: | 2021-04-16 | | Release date: | 2021-04-21 | | Identifier: | 3-(cyclohex-1-en-1-yl)-6-(4-methoxyphenyl)-2-phenyl-5-[(pyridin-2-yl)amino]pyrazolo[1,5-a]pyrimidin-7(4H)-one |
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 | | WBM | | Name: | 2,3-diphenyl-5-[(1H-pyrazol-3-yl)amino]pyrazolo[1,5-a]pyrimidin-7(4H)-one | | Formula: | C21 H16 N6 O | | SMILES: | c1cnnc1NC5=CC(n3c(c(c(c2ccccc2)n3)c4ccccc4)N5)=O | | InChi: | InChI=1S/C21H16N6O/c28-18-13-17(23-16-11-12-22-25-16)24-21-19(14-7-3-1-4-8-14)20(26-27(18)21)15-9-5-2-6-10-15/h1-13,24H,(H2,22,23,25) | | Definition date: | 2020-10-09 | | Last modified: | 2021-04-16 | | Release date: | 2021-04-21 | | Identifier: | 2,3-diphenyl-5-[(1H-pyrazol-3-yl)amino]pyrazolo[1,5-a]pyrimidin-7(4H)-one |
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 | | WBS | | Name: | 6-(4-hydroxyphenyl)-2,3-diphenyl-5-[(1H-pyrazol-3-yl)amino]pyrazolo[1,5-a]pyrimidin-7(4H)-one | | Formula: | C27 H20 N6 O2 | | SMILES: | c6c(C=5C(n2c(c(c(c1ccccc1)n2)c3ccccc3)NC=5Nc4nncc4)=O)ccc(c6)O | | InChi: | InChI=1S/C27H20N6O2/c34-20-13-11-18(12-14-20)23-25(29-21-15-16-28-31-21)30-26-22(17-7-3-1-4-8-17)24(32-33(26)27(23)35)19-9-5-2-6-10-19/h1-16,30,34H,(H2,28,29,31) | | Definition date: | 2020-10-09 | | Last modified: | 2021-04-16 | | Release date: | 2021-04-21 | | Identifier: | 6-(4-hydroxyphenyl)-2,3-diphenyl-5-[(1H-pyrazol-3-yl)amino]pyrazolo[1,5-a]pyrimidin-7(4H)-one |
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 | | XRM | | Name: | 7-(cyclopentylamino)-5-fluoro-2-{[(piperidin-4-yl)sulfanyl]methyl}quinazolin-4(3H)-one | | Formula: | C19 H25 F N4 O S | | SMILES: | c23c(N=C(CSC1CCNCC1)NC2=O)cc(cc3F)NC4CCCC4 | | InChi: | InChI=1S/C19H25FN4OS/c20-15-9-13(22-12-3-1-2-4-12)10-16-18(15)19(25)24-17(23-16)11-26-14-5-7-21-8-6-14/h9-10,12,14,21-22H,1-8,11H2,(H,23,24,25) | | Definition date: | 2021-01-07 | | Last modified: | 2021-04-16 | | Release date: | 2021-04-21 | | Identifier: | 7-(cyclopentylamino)-5-fluoro-2-{[(piperidin-4-yl)sulfanyl]methyl}quinazolin-4(3H)-one |
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 | | XRV | | Name: | 7-{[1-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl}-1H-[1,2,3]triazolo[4,5-b]pyridin-5-amine | | Formula: | C15 H12 F N7 | | SMILES: | c1(ccc(cc1)n2cc(cn2)Cc3cc(nc4c3nnn4)N)F | | InChi: | InChI=1S/C15H12FN7/c16-11-1-3-12(4-2-11)23-8-9(7-18-23)5-10-6-13(17)19-15-14(10)20-22-21-15/h1-4,6-8H,5H2,(H3,17,19,20,21,22) | | Definition date: | 2021-01-08 | | Last modified: | 2021-04-16 | | Release date: | 2021-04-21 | | Identifier: | 7-{[1-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl}-1H-[1,2,3]triazolo[4,5-b]pyridin-5-amine |
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 | | XS1 | | Name: | 7-[(3R,4S,6S,10R)-4-benzyl-2-oxa-7,13,14-triazatetracyclo[14.3.1.1~3,6~.1~11,14~]docosa-1(20),11(21),12,16,18-pentaen-10-yl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine | | Formula: | C30 H32 N8 O | | SMILES: | c67C(c1cc(nc2c1nnn2)N)CCNC3CC(C(C3)Cc4ccccc4)Oc5cccc(c5)Cn(c6)nc7 | | InChi: | InChI=1S/C30H32N8O/c31-28-15-26(29-30(34-28)36-37-35-29)25-9-10-32-23-13-21(11-19-5-2-1-3-6-19)27(14-23)39-24-8-4-7-20(12-24)17-38-18-22(25)16-33-38/h1-8,12,15-16,18,21,23,25,27,32H,9-11,13-14,17H2,(H3,31,34,35,36,37)/t21-,23-,25-,27+/m0/s1 | | Definition date: | 2021-01-08 | | Last modified: | 2021-04-16 | | Release date: | 2021-04-21 | | Identifier: | 7-[(3R,4S,6S,10R)-4-benzyl-2-oxa-7,13,14-triazatetracyclo[14.3.1.1~3,6~.1~11,14~]docosa-1(20),11(21),12,16,18-pentaen-10-yl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine |
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 | | XSD | | Name: | 7-({1-[(3-phenoxyphenyl)methyl]-1H-pyrazol-4-yl}methyl)-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine | | Formula: | C22 H19 N7 O | | SMILES: | c1(cc(ccc1)Cn4ncc(Cc2cc(N)nc3c2nnn3)c4)Oc5ccccc5 | | InChi: | InChI=1S/C22H19N7O/c23-20-11-17(21-22(25-20)27-28-26-21)9-16-12-24-29(14-16)13-15-5-4-8-19(10-15)30-18-6-2-1-3-7-18/h1-8,10-12,14H,9,13H2,(H3,23,25,26,27,28) | | Definition date: | 2021-01-08 | | Last modified: | 2021-04-16 | | Release date: | 2021-04-21 | | Identifier: | 7-({1-[(3-phenoxyphenyl)methyl]-1H-pyrazol-4-yl}methyl)-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine |
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 | | XSG | | Name: | 7-[(1R)-3-{[(1R)-2,3-dihydro-1H-inden-1-yl]amino}-1-phenylpropyl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine | | Formula: | C23 H24 N6 | | SMILES: | C(NC2c1ccccc1CC2)CC(c3c4c(nc(N)c3)nnn4)c5ccccc5 | | InChi: | InChI=1S/C23H24N6/c24-21-14-19(22-23(26-21)28-29-27-22)17(15-6-2-1-3-7-15)12-13-25-20-11-10-16-8-4-5-9-18(16)20/h1-9,14,17,20,25H,10-13H2,(H3,24,26,27,28,29)/t17-,20-/m1/s1 | | Definition date: | 2021-01-08 | | Last modified: | 2021-04-16 | | Release date: | 2021-04-21 | | Identifier: | 7-[(1R)-3-{[(1R)-2,3-dihydro-1H-inden-1-yl]amino}-1-phenylpropyl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine |
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 | | YBG | | Name: | 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphoinositol | | Formula: | C43 H81 O13 P | | SMILES: | CCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)O[CH]1[CH](O)[CH](O)[CH](O)[CH](O)[CH]1O)OC(=O)CCCCCCCC=CCCCCCCCC | | InChi: | InChI=1S/C43H81O13P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(45)55-35(34-54-57(51,52)56-43-41(49)39(47)38(46)40(48)42(43)50)33-53-36(44)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,35,38-43,46-50H,3-16,19-34H2,1-2H3,(H,51,52)/b18-17+/t35-,38-,39+,40-,41+,42+,43-/m0/s1 | | Definition date: | 2021-02-16 | | Last modified: | 2021-04-16 | | Release date: | 2021-04-21 | | Identifier: | [(2~{S})-1-hexadecanoyloxy-3-[oxidanyl-[(2~{R},3~{S},5~{R},6~{R})-2,3,4,5,6-pentakis(oxidanyl)cyclohexyl]oxy-phosphoryl]oxy-propan-2-yl] (~{E})-octadec-9-enoate |
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 | | WFM | | Name: | (2R,3R,3aS,6S,6aR)-6-[(2-amino-3-bromoquinolin-7-yl)oxy]-2-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-7-yl)hexahydro-3aH-cyclopenta[b]furan-3,3a-diol | | Formula: | C22 H21 Br N6 O4 | | SMILES: | n6c5c(ccc(OC2C1OC(C(O)C1(CC2)O)n4c3ncnc(c3cc4)N)c5)cc(c6N)Br | | InChi: | InChI=1S/C22H21BrN6O4/c23-13-7-10-1-2-11(8-14(10)28-19(13)25)32-15-3-5-22(31)16(30)21(33-17(15)22)29-6-4-12-18(24)26-9-27-20(12)29/h1-2,4,6-9,15-17,21,30-31H,3,5H2,(H2,25,28)(H2,24,26,27)/t15-,16-,17+,21+,22-/m0/s1 | | Definition date: | 2020-10-26 | | Last modified: | 2021-04-16 | | Release date: | 2021-04-21 | | Identifier: | (2R,3R,3aS,6S,6aR)-6-[(2-amino-3-bromoquinolin-7-yl)oxy]-2-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-7-yl)hexahydro-3aH-cyclopenta[b]furan-3,3a-diol |
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 | | WFS | | Name: | (2R,3R,3aS,6S,6aR)-6-[(2-amino-3-bromoquinolin-7-yl)oxy]-2-(4-methyl-7H-pyrrolo[2,3-d]pyrimidin-7-yl)hexahydro-3aH-cyclopenta[b]furan-3,3a-diol | | Formula: | C23 H22 Br N5 O4 | | SMILES: | Nc6c(cc5ccc(OC1CCC2(C(O)C(OC12)n4c3c(c(ncn3)C)cc4)O)cc5n6)Br | | InChi: | InChI=1S/C23H22BrN5O4/c1-11-14-5-7-29(21(14)27-10-26-11)22-18(30)23(31)6-4-17(19(23)33-22)32-13-3-2-12-8-15(24)20(25)28-16(12)9-13/h2-3,5,7-10,17-19,22,30-31H,4,6H2,1H3,(H2,25,28)/t17-,18-,19+,22+,23-/m0/s1 | | Definition date: | 2020-10-26 | | Last modified: | 2021-04-16 | | Release date: | 2021-04-21 | | Identifier: | (2R,3R,3aS,6S,6aR)-6-[(2-amino-3-bromoquinolin-7-yl)oxy]-2-(4-methyl-7H-pyrrolo[2,3-d]pyrimidin-7-yl)hexahydro-3aH-cyclopenta[b]furan-3,3a-diol |
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 | | WFV | | Name: | (1S,2R,3aR,4S,6aR)-4-[(2-amino-3,5-difluoroquinolin-7-yl)methyl]-2-(4-amino-5-fluoro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)hexahydropentalene-1,6a(1H)-diol | | Formula: | C24 H23 F3 N6 O2 | | SMILES: | n1cnc2c(c1N)c(cn2C3CC4C(CCC4(C3O)O)Cc5cc6c(c(c5)F)cc(c(n6)N)F)F | | InChi: | InChI=1S/C24H23F3N6O2/c25-14-4-10(5-17-12(14)6-15(26)21(28)32-17)3-11-1-2-24(35)13(11)7-18(20(24)34)33-8-16(27)19-22(29)30-9-31-23(19)33/h4-6,8-9,11,13,18,20,34-35H,1-3,7H2,(H2,28,32)(H2,29,30,31)/t11-,13+,18+,20-,24+/m0/s1 | | Definition date: | 2020-10-26 | | Last modified: | 2021-04-16 | | Release date: | 2021-04-21 | | Identifier: | (1S,2R,3aR,4S,6aR)-4-[(2-amino-3,5-difluoroquinolin-7-yl)methyl]-2-(4-amino-5-fluoro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)hexahydropentalene-1,6a(1H)-diol |
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 | | V2V | | Name: | CDP-ribitol | | Formula: | C14 H25 N3 O15 P2 | | SMILES: | C1=CN(C(N=C1N)=O)C2C(C(C(COP(=O)(O)OP(=O)(O)OCC(C(C(CO)O)O)O)O2)O)O | | InChi: | InChI=1S/C14H25N3O15P2/c15-9-1-2-17(14(24)16-9)13-12(23)11(22)8(31-13)5-30-34(27,28)32-33(25,26)29-4-7(20)10(21)6(19)3-18/h1-2,6-8,10-13,18-23H,3-5H2,(H,25,26)(H,27,28)(H2,15,16,24)/t6-,7+,8+,10-,11+,12+,13+/m0/s1 | | Synonyms: | [(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-2,3,4,5-tetrahydroxypentyl dihydrogen diphosphate | | Definition date: | 2020-06-19 | | Last modified: | 2021-04-16 | | Release date: | 2021-04-21 | | Identifier: | [(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-2,3,4,5-tetrahydroxypentyl dihydrogen diphosphate (non-preferred name) |
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 | | S8N | | Name: | (2~{R},5~{S},12~{R})-12-cyclohexyl-2-[2-(3,4-dimethoxyphenyl)ethyl]-15,15,16-trimethyl-3,19-dioxa-10,13,16-triazatricyclo[18.3.1.0^{5,10}]tetracosa-1(24),20,22-triene-4,11,14,17-tetrone | | Formula: | C38 H51 N3 O8 | | SMILES: | COc1ccc(CC[CH]2OC(=O)[CH]3CCCCN3C(=O)[CH](NC(=O)C(C)(C)N(C)C(=O)COc4cccc2c4)C5CCCCC5)cc1OC | | InChi: | InChI=1S/C38H51N3O8/c1-38(2)37(45)39-34(26-12-7-6-8-13-26)35(43)41-21-10-9-16-29(41)36(44)49-30(19-17-25-18-20-31(46-4)32(22-25)47-5)27-14-11-15-28(23-27)48-24-33(42)40(38)3/h11,14-15,18,20,22-23,26,29-30,34H,6-10,12-13,16-17,19,21,24H2,1-5H3,(H,39,45)/t29-,30+,34+/m0/s1 | | Definition date: | 2020-11-11 | | Last modified: | 2021-04-16 | | Release date: | 2021-04-21 | | Identifier: | (2~{R},5~{S},12~{R})-12-cyclohexyl-2-[2-(3,4-dimethoxyphenyl)ethyl]-15,15,16-trimethyl-3,19-dioxa-10,13,16-triazatricyclo[18.3.1.0^{5,10}]tetracosa-1(24),20,22-triene-4,11,14,17-tetrone |
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 | | YFG | | Name: | 7-(cyclopentylamino)-5-fluoro-2-{[(trans-4-hydroxycyclohexyl)sulfanyl]methyl}quinazolin-4(3H)-one | | Formula: | C20 H26 F N3 O2 S | | SMILES: | C1CC(CCC1SCC3=Nc2cc(cc(c2C(N3)=O)F)NC4CCCC4)O | | InChi: | InChI=1S/C20H26FN3O2S/c21-16-9-13(22-12-3-1-2-4-12)10-17-19(16)20(26)24-18(23-17)11-27-15-7-5-14(25)6-8-15/h9-10,12,14-15,22,25H,1-8,11H2,(H,23,24,26)/t14-,15- | | Definition date: | 2021-02-24 | | Last modified: | 2021-04-16 | | Release date: | 2021-04-21 | | Identifier: | 7-(cyclopentylamino)-5-fluoro-2-{[(trans-4-hydroxycyclohexyl)sulfanyl]methyl}quinazolin-4(3H)-one |
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 | | YXM | | Name: | N-[(1R,2R)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-5-(triphenyl-lambda~5~-phosphanyl)pentanamide | | Formula: | C32 H35 N2 O5 P | | SMILES: | [O-][N+](=O)c1ccc(cc1)C(O)C(CO)NC(=O)CCCCP(c1ccccc1)(c1ccccc1)c1ccccc1 | | InChi: | InChI=1S/C32H35N2O5P/c35-24-30(32(37)25-19-21-26(22-20-25)34(38)39)33-31(36)18-10-11-23-40(27-12-4-1-5-13-27,28-14-6-2-7-15-28)29-16-8-3-9-17-29/h1-9,12-17,19-22,30,32,35,37,40H,10-11,18,23-24H2,(H,33,36)/t30-,32-/m1/s1 | | Definition date: | 2021-04-05 | | Last modified: | 2021-04-16 | | Release date: | 2021-04-21 | | Identifier: | N-[(1R,2R)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-5-(triphenyl-lambda~5~-phosphanyl)pentanamide |
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 | | VLA | | Name: | N-(4-{[(2,4-diamino-7,8-dihydropyrido[3,2-d]pyrimidin-6-yl)methyl]amino}benzene-1-carbonyl)-L-glutamic acid | | Formula: | C20 H23 N7 O5 | | SMILES: | C(=O)(c3ccc(NCC=2CCc1c(c(nc(N)n1)N)N=2)cc3)NC(CCC(O)=O)C(=O)O | | InChi: | InChI=1S/C20H23N7O5/c21-17-16-13(26-20(22)27-17)6-5-12(24-16)9-23-11-3-1-10(2-4-11)18(30)25-14(19(31)32)7-8-15(28)29/h1-4,14,23H,5-9H2,(H,25,30)(H,28,29)(H,31,32)(H4,21,22,26,27)/t14-/m0/s1 | | Definition date: | 2020-08-27 | | Last modified: | 2021-04-16 | | Release date: | 2021-04-21 | | Identifier: | N-(4-{[(2,4-diamino-7,8-dihydropyrido[3,2-d]pyrimidin-6-yl)methyl]amino}benzene-1-carbonyl)-L-glutamic acid |
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 | | VLD | | Name: | (2S)-2-({4-[({(6R)-2,4-diamino-5-[(1-{(2R,4S,5R)-4-hydroxy-5-[(phosphonooxy)methyl]tetrahydrofuran-2-yl}-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methyl]-5,6,7,8-tetrahydropyrido[3,2-d]pyrimidin-6-yl}methyl)amino]benzoyl}amino)pentanedioic acid (non-preferred name) | | Formula: | C30 H38 N9 O13 P | | SMILES: | N4(C(=O)NC(C(CN2c3c(nc(nc3CCC2CNc1ccc(C(NC(CCC(=O)O)C(=O)O)=O)cc1)N)N)=C4)=O)C5CC(C(COP(=O)(O)O)O5)O | | InChi: | InChI=1S/C30H38N9O13P/c31-25-24-18(35-29(32)36-25)6-5-17(10-33-16-3-1-14(2-4-16)26(43)34-19(28(45)46)7-8-23(41)42)38(24)11-15-12-39(30(47)37-27(15)44)22-9-20(40)21(52-22)13-51-53(48,49)50/h1-4,12,17,19-22,33,40H,5-11,13H2,(H,34,43)(H,41,42)(H,45,46)(H,37,44,47)(H2,48,49,50)(H4,31,32,35,36)/t17-,19+,20+,21-,22-/m1/s1 | | Definition date: | 2020-08-27 | | Last modified: | 2021-04-16 | | Release date: | 2021-04-21 | | Identifier: | (2S)-2-({4-[({(6R)-2,4-diamino-5-[(1-{(2R,4S,5R)-4-hydroxy-5-[(phosphonooxy)methyl]tetrahydrofuran-2-yl}-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methyl]-5,6,7,8-tetrahydropyrido[3,2-d]pyrimidin-6-yl}methyl)amino]benzoyl}amino)pentanedioic acid (non-preferred name) |
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 | | VMV | | Name: | N-[4-({[(6S)-2,4-diamino-5,6,7,8-tetrahydropyrido[3,2-d]pyrimidin-6-yl]methyl}amino)benzene-1-carbonyl]-L-glutamic acid | | Formula: | C20 H25 N7 O5 | | SMILES: | c2(N)nc3CCC(CNc1ccc(C(NC(C(O)=O)CCC(O)=O)=O)cc1)Nc3c(n2)N | | InChi: | InChI=1S/C20H25N7O5/c21-17-16-13(26-20(22)27-17)6-5-12(24-16)9-23-11-3-1-10(2-4-11)18(30)25-14(19(31)32)7-8-15(28)29/h1-4,12,14,23-24H,5-9H2,(H,25,30)(H,28,29)(H,31,32)(H4,21,22,26,27)/t12-,14-/m0/s1 | | Definition date: | 2020-08-28 | | Last modified: | 2021-04-16 | | Release date: | 2021-04-21 | | Identifier: | N-[4-({[(6S)-2,4-diamino-5,6,7,8-tetrahydropyrido[3,2-d]pyrimidin-6-yl]methyl}amino)benzene-1-carbonyl]-L-glutamic acid |
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 | | TNW | | Name: | 7-chloranyl-4-(dimethylamino)-1-(3-methylphenyl)quinazolin-2-one | | Formula: | C17 H16 Cl N3 O | | SMILES: | CN(C)C1=NC(=O)N(c2cccc(C)c2)c3cc(Cl)ccc13 | | InChi: | InChI=1S/C17H16ClN3O/c1-11-5-4-6-13(9-11)21-15-10-12(18)7-8-14(15)16(20(2)3)19-17(21)22/h4-10H,1-3H3 | | Definition date: | 2021-01-12 | | Last modified: | 2021-04-16 | | Release date: | 2021-04-21 | | Identifier: | 7-chloranyl-4-(dimethylamino)-1-(3-methylphenyl)quinazolin-2-one |
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 | | TNZ | | Name: | 6-chloranyl-2-methoxy-4-phenyl-quinazoline | | Formula: | C15 H11 Cl N2 O | | SMILES: | COc1nc2ccc(Cl)cc2c(n1)c3ccccc3 | | InChi: | InChI=1S/C15H11ClN2O/c1-19-15-17-13-8-7-11(16)9-12(13)14(18-15)10-5-3-2-4-6-10/h2-9H,1H3 | | Definition date: | 2021-01-12 | | Last modified: | 2021-04-16 | | Release date: | 2021-04-21 | | Identifier: | 6-chloranyl-2-methoxy-4-phenyl-quinazoline |
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 | | TO5 | | Name: | 7-chloranyl-4-(dimethylamino)-1-pyridin-3-yl-quinazolin-2-one | | Formula: | C15 H13 Cl N4 O | | SMILES: | CN(C)C1=NC(=O)N(c2cccnc2)c3cc(Cl)ccc13 | | InChi: | InChI=1S/C15H13ClN4O/c1-19(2)14-12-6-5-10(16)8-13(12)20(15(21)18-14)11-4-3-7-17-9-11/h3-9H,1-2H3 | | Definition date: | 2021-01-12 | | Last modified: | 2021-04-16 | | Release date: | 2021-04-21 | | Identifier: | 7-chloranyl-4-(dimethylamino)-1-pyridin-3-yl-quinazolin-2-one |
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 | | TO8 | | Name: | 7-chloranyl-4-(dimethylamino)-1~{H}-quinazolin-2-one | | Formula: | C10 H10 Cl N3 O | | SMILES: | CN(C)C1=NC(=O)Nc2cc(Cl)ccc12 | | InChi: | InChI=1S/C10H10ClN3O/c1-14(2)9-7-4-3-6(11)5-8(7)12-10(15)13-9/h3-5H,1-2H3,(H,12,13,15) | | Definition date: | 2021-01-12 | | Last modified: | 2021-04-16 | | Release date: | 2021-04-21 | | Identifier: | 7-chloranyl-4-(dimethylamino)-1~{H}-quinazolin-2-one |
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 | | TOW | | Name: | 7-chloranyl-4-(dimethylamino)-1-(2-hydroxyethyl)quinazolin-2-one | | Formula: | C12 H14 Cl N3 O2 | | SMILES: | CN(C)C1=NC(=O)N(CCO)c2cc(Cl)ccc12 | | InChi: | InChI=1S/C12H14ClN3O2/c1-15(2)11-9-4-3-8(13)7-10(9)16(5-6-17)12(18)14-11/h3-4,7,17H,5-6H2,1-2H3 | | Definition date: | 2021-01-12 | | Last modified: | 2021-04-16 | | Release date: | 2021-04-21 | | Identifier: | 7-chloranyl-4-(dimethylamino)-1-(2-hydroxyethyl)quinazolin-2-one |
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