 | | D70 | | Name: | [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-2,3,4-trihydroxy-5-[(4aS,10aS)-4a-[(1S,3E)-3-imino-1-phenylpentyl]-7,8-dimethyl-2,4-dioxo-1,3,4,4a,5,10a-hexahydrobenzo[g]pteridin-10(2H)-yl]pentyl dihydrogen diphosphate | | Formula: | C38 H50 N10 O15 P2 | | SMILES: | O=C2NC(=O)NC4N(c1cc(c(cc1NC24C(c3ccccc3)CC(=[N@H])CC)C)C)CC(O)C(O)C(O)COP(=O)(O)OP(=O)(O)OCC7OC(n6cnc5c(ncnc56)N)C(O)C7O | | InChi: | InChI=1S/C38H50N10O15P2/c1-4-21(39)12-22(20-8-6-5-7-9-20)38-35(44-37(55)45-36(38)54)47(24-11-19(3)18(2)10-23(24)46-38)13-25(49)29(51)26(50)14-60-64(56,57)63-65(58,59)61-15-27-30(52)31(53)34(62-27)48-17-43-28-32(40)41-16-42-33(28)48/h5-11,16-17,22,25-27,29-31,34-35,39,46,49-53H,4,12-15H2,1-3H3,(H,56,57)(H,58,59)(H2,40,41,42)(H2,44,45,54,55)/b39-21+/t22-,25-,26+,27+,29-,30+,31+,34+,35-,38-/m0/s1 | | Definition date: | 2014-08-05 | | Last modified: | 2014-09-05 | | Release date: | 2014-09-10 | | Identifier: | [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-2,3,4-trihydroxy-5-[(4aS,10aS)-4a-[(1S,3E)-3-imino-1-phenylpentyl]-7,8-dimethyl-2,4-dioxo-1,3,4,4a,5,10a-hexahydrobenzo[g]pteridin-10(2H)-yl]pentyl dihydrogen diphosphate (non-preferred name) |
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 | | D73 | | Name: | [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-2,3,4-trihydroxy-5-[(4aS)-4a-[(1S,3E)-3-imino-1-phenylbutyl]-7,8-dimethyl-2,4-dioxo-3,4,4a,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]pentyl dihydrogen diphosphate | | Formula: | C37 H46 N10 O15 P2 | | SMILES: | O=C2NC(=O)N=C3N(c1cc(c(cc1NC23C(c4ccccc4)CC(=[N@H])C)C)C)CC(O)C(O)C(O)COP(=O)(O)OP(=O)(O)OCC7OC(n6cnc5c(ncnc56)N)C(O)C7O | | InChi: | InChI=1S/C37H46N10O15P2/c1-17-9-22-23(10-18(17)2)46(34-37(45-22,35(53)44-36(54)43-34)21(11-19(3)38)20-7-5-4-6-8-20)12-24(48)28(50)25(49)13-59-63(55,56)62-64(57,58)60-14-26-29(51)30(52)33(61-26)47-16-42-27-31(39)40-15-41-32(27)47/h4-10,15-16,21,24-26,28-30,33,38,45,48-52H,11-14H2,1-3H3,(H,55,56)(H,57,58)(H2,39,40,41)(H,44,53,54)/b38-19+/t21-,24-,25+,26+,28-,29+,30+,33+,37-/m0/s1 | | Definition date: | 2014-08-05 | | Last modified: | 2014-09-05 | | Release date: | 2014-09-10 | | Identifier: | [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-2,3,4-trihydroxy-5-[(4aS)-4a-[(1S,3E)-3-imino-1-phenylbutyl]-7,8-dimethyl-2,4-dioxo-3,4,4a,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]pentyl dihydrogen diphosphate (non-preferred name) |
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 | | D98 | | Name: | 2-(4'-CARBAMIMIDOYL-2'-HYDROXYBIPHENYL-4-YL)-1H-BENZIMIDAZOLE-5-CARBOXIMIDAMIDE | | Formula: | C21 H18 N6 O | | SMILES: | n2c1cc(ccc1nc2c4ccc(c3ccc(C(=[N@H])N)cc3O)cc4)C(=[N@H])N | | InChi: | InChI=1S/C21H18N6O/c22-19(23)13-6-8-16-17(9-13)27-21(26-16)12-3-1-11(2-4-12)15-7-5-14(20(24)25)10-18(15)28/h1-10,28H,(H3,22,23)(H3,24,25)(H,26,27) | | Definition date: | 2012-02-02 | | Last modified: | 2014-09-05 | | Release date: | 2013-01-11 | | Identifier: | 2-(4'-carbamimidoyl-2'-hydroxybiphenyl-4-yl)-1H-benzimidazole-5-carboximidamide |
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 | | DCW | | Name: | DICYCLOHEXYLUREA | | Formula: | C13 H24 N2 O | | SMILES: | O=C(NC1CCCCC1)NC2CCCCC2 | | InChi: | InChI=1S/C13H24N2O/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h11-12H,1-10H2,(H2,14,15,16) | | Definition date: | 2000-08-25 | | Last modified: | 2014-09-05 | | Identifier: | 1,3-dicyclohexylurea |
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 | | AZ7 | | Name: | (3S)-3-(4-CHLOROPHENYL)-4-(5,7-DICHLORO-1H-BENZIMIDAZOL-2-YL)BUTANOIC ACID | | Formula: | C17 H13 Cl3 N2 O2 | | SMILES: | Clc1ccc(cc1)C(CC(=O)O)Cc3nc2cc(Cl)cc(Cl)c2n3 | | InChi: | InChI=1S/C17H13Cl3N2O2/c18-11-3-1-9(2-4-11)10(6-16(23)24)5-15-21-14-8-12(19)7-13(20)17(14)22-15/h1-4,7-8,10H,5-6H2,(H,21,22)(H,23,24)/t10-/m0/s1 | | Definition date: | 2011-09-08 | | Last modified: | 2014-09-05 | | Identifier: | (3S)-3-(4-chlorophenyl)-4-(5,7-dichloro-1H-benzimidazol-2-yl)butanoic acid |
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 | | B0T | | Name: | (2S)-6-[[[2-[[(2S)-butan-2-yl]carbamoyl]phenyl]methyl-methyl-amino]methyl]-2-(3-hydroxy-3-oxopropyl)-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid | | Formula: | C26 H32 N2 O7 | | SMILES: | O=C(NC(C)CC)c1ccccc1CN(C)Cc3ccc2OC(COc2c3C(=O)O)CCC(=O)O | | InChi: | InChI=1S/C26H32N2O7/c1-4-16(2)27-25(31)20-8-6-5-7-17(20)13-28(3)14-18-9-11-21-24(23(18)26(32)33)34-15-19(35-21)10-12-22(29)30/h5-9,11,16,19H,4,10,12-15H2,1-3H3,(H,27,31)(H,29,30)(H,32,33)/t16-,19-/m0/s1 | | Definition date: | 2013-11-13 | | Last modified: | 2014-09-05 | | Release date: | 2013-11-27 | | Identifier: | (2S)-6-{[{2-[(2S)-butan-2-ylcarbamoyl]benzyl}(methyl)amino]methyl}-2-(2-carboxyethyl)-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid |
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 | | B3V | | Name: | N-[2-(diethylamino)ethyl]-3-methoxy-benzenesulfonamide | | Formula: | C13 H22 N2 O3 S | | SMILES: | O=S(=O)(NCCN(CC)CC)c1cc(OC)ccc1 | | InChi: | InChI=1S/C13H22N2O3S/c1-4-15(5-2)10-9-14-19(16,17)13-8-6-7-12(11-13)18-3/h6-8,11,14H,4-5,9-10H2,1-3H3 | | Definition date: | 2012-08-24 | | Last modified: | 2014-09-05 | | Release date: | 2013-09-04 | | Identifier: | N-[2-(diethylamino)ethyl]-3-methoxybenzenesulfonamide |
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 | | B4F | | Name: | biotin-4-fluorescein | | Formula: | C33 H32 N4 O8 S | | SMILES: | O=C1NC2C(SCC2N1)CCCCC(=O)NCCNC(=O)c6ccc(C=4c5ccc(O)cc5OC3=CC(=O)C=CC3=4)c(C(=O)O)c6 | | InChi: | InChI=1S/C33H32N4O8S/c38-18-6-9-21-25(14-18)45-26-15-19(39)7-10-22(26)29(21)20-8-5-17(13-23(20)32(42)43)31(41)35-12-11-34-28(40)4-2-1-3-27-30-24(16-46-27)36-33(44)37-30/h5-10,13-15,24,27,30,38H,1-4,11-12,16H2,(H,34,40)(H,35,41)(H,42,43)(H2,36,37,44)/t24-,27-,30-/m0/s1 | | Definition date: | 2013-07-09 | | Last modified: | 2014-09-05 | | Release date: | 2013-09-25 | | Identifier: | 2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-5-{[2-({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)ethyl]carbamoyl}benzoic acid |
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 | | B5F | | Name: | BIPHENYL 2,3',4,5',6-PENTAKISPHOSPHATE | | Formula: | C12 H15 O20 P5 | | SMILES: | O=P(O)(O)Oc2cc(c1c(OP(=O)(O)O)cc(OP(=O)(O)O)cc1OP(=O)(O)O)cc(OP(=O)(O)O)c2 | | InChi: | InChI=1S/C12H15O20P5/c13-33(14,15)28-7-1-6(2-8(3-7)29-34(16,17)18)12-10(31-36(22,23)24)4-9(30-35(19,20)21)5-11(12)32-37(25,26)27/h1-5H,(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)(H2,25,26,27) | | Definition date: | 2011-11-27 | | Last modified: | 2014-09-05 | | Identifier: | biphenyl-2,3',4,5',6-pentayl pentakis[dihydrogen (phosphate)] |
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 | | IY7 | | Name: | (2s)-6-[[(1r,2s)-2-(5-azanylpentanoylamino)-2,3-dihydro-1h-inden-1-yl]methyl]-2-(3-hydroxy-3-oxopropyl)-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid | | Formula: | C27 H32 N2 O7 | | SMILES: | O=C(O)c2c(ccc1OC(COc12)CCC(=O)O)CC4c3ccccc3CC4NC(=O)CCCCN | | InChi: | InChI=1S/C27H32N2O7/c28-12-4-3-7-23(30)29-21-14-16-5-1-2-6-19(16)20(21)13-17-8-10-22-26(25(17)27(33)34)35-15-18(36-22)9-11-24(31)32/h1-2,5-6,8,10,18,20-21H,3-4,7,9,11-15,28H2,(H,29,30)(H,31,32)(H,33,34)/t18-,20+,21-/m0/s1 | | Definition date: | 2013-11-13 | | Last modified: | 2014-09-05 | | Release date: | 2013-12-18 | | Identifier: | (2S)-6-({(1R,2S)-2-[(5-aminopentanoyl)amino]-2,3-dihydro-1H-inden-1-yl}methyl)-2-(2-carboxyethyl)-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid |
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 | | J73 | | Name: | METHANOL TRIAZOL ETHYL PHENYL 1O-ALPHA-D-MANNOPYRANOSIDE | | Formula: | C17 H23 N3 O7 | | SMILES: | O(c1ccc(cc1)CCn2nnc(c2)CO)C3OC(C(O)C(O)C3O)CO | | InChi: | InChI=1S/C17H23N3O7/c21-8-11-7-20(19-18-11)6-5-10-1-3-12(4-2-10)26-17-16(25)15(24)14(23)13(9-22)27-17/h1-4,7,13-17,21-25H,5-6,8-9H2/t13-,14-,15+,16+,17+/m1/s1 | | Definition date: | 2012-05-26 | | Last modified: | 2014-09-05 | | Identifier: | 4-{2-[4-(hydroxymethyl)-1H-1,2,3-triazol-1-yl]ethyl}phenyl alpha-D-mannopyranoside |
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 | | JEG | | Name: | trans-1-aminocyclobutane-1,3-dicarboxylic acid | | Formula: | C6 H9 N O4 | | SMILES: | O=C(O)C1CC(C(=O)O)(N)C1 | | InChi: | InChI=1S/C6H9NO4/c7-6(5(10)11)1-3(2-6)4(8)9/h3H,1-2,7H2,(H,8,9)(H,10,11)/t3-,6- | | Definition date: | 2014-06-12 | | Last modified: | 2014-09-05 | | Release date: | 2014-07-02 | | Identifier: | trans-1-aminocyclobutane-1,3-dicarboxylic acid |
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 | | JIL | | Name: | 9-{5-S-[2-({[(3S)-7-nitro-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl}amino)ethyl]-5-thio-alpha-L-lyxofuranosyl}-9H-purin-6-amine | | Formula: | C22 H28 N8 O5 S | | SMILES: | [O-][N+](=O)c1ccc2c(c1)CNC(C2)CNCCSCC5OC(n4cnc3c(ncnc34)N)C(O)C5O | | InChi: | InChI=1S/C22H28N8O5S/c23-20-17-21(27-10-26-20)29(11-28-17)22-19(32)18(31)16(35-22)9-36-4-3-24-8-14-5-12-1-2-15(30(33)34)6-13(12)7-25-14/h1-2,6,10-11,14,16,18-19,22,24-25,31-32H,3-5,7-9H2,(H2,23,26,27)/t14-,16-,18+,19+,22+/m0/s1 | | Definition date: | 2013-09-10 | | Last modified: | 2014-09-05 | | Release date: | 2014-09-10 | | Identifier: | 9-{5-S-[2-({[(3S)-7-nitro-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl}amino)ethyl]-5-thio-alpha-L-lyxofuranosyl}-9H-purin-6-amine |
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 | | NX6 | | Name: | N-[(benzyloxy)carbonyl]-L-aspartic acid | | Formula: | C12 H13 N O6 | | SMILES: | O=C(O)C(NC(=O)OCc1ccccc1)CC(=O)O | | InChi: | InChI=1S/C12H13NO6/c14-10(15)6-9(11(16)17)13-12(18)19-7-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,18)(H,14,15)(H,16,17)/t9-/m0/s1 | | Definition date: | 2011-01-26 | | Last modified: | 2014-09-02 | | Identifier: | N-[(benzyloxy)carbonyl]-L-aspartic acid |
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 | | 2YK | | Name: | 6-[(2,5-dimethoxyphenyl)sulfanyl]-3-(1-methyl-1H-pyrazol-4-yl)[1,2,4]triazolo[4,3-b]pyridazine | | Formula: | C17 H16 N6 O2 S | | SMILES: | n1nc3ccc(nn3c1c2cn(nc2)C)Sc4cc(OC)ccc4OC | | InChi: | InChI=1S/C17H16N6O2S/c1-22-10-11(9-18-22)17-20-19-15-6-7-16(21-23(15)17)26-14-8-12(24-2)4-5-13(14)25-3/h4-10H,1-3H3 | | Definition date: | 2014-04-16 | | Last modified: | 2014-08-29 | | Release date: | 2014-09-03 | | Identifier: | 6-[(2,5-dimethoxyphenyl)sulfanyl]-3-(1-methyl-1H-pyrazol-4-yl)[1,2,4]triazolo[4,3-b]pyridazine |
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 | | MFK | | Name: | decanoyl-CoA | | Formula: | C31 H54 N7 O17 P3 S | | SMILES: | O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O)CCCCCCCCC | | InChi: | InChI=1S/C31H54N7O17P3S/c1-4-5-6-7-8-9-10-11-22(40)59-15-14-33-21(39)12-13-34-29(43)26(42)31(2,3)17-52-58(49,50)55-57(47,48)51-16-20-25(54-56(44,45)46)24(41)30(53-20)38-19-37-23-27(32)35-18-36-28(23)38/h18-20,24-26,30,41-42H,4-17H2,1-3H3,(H,33,39)(H,34,43)(H,47,48)(H,49,50)(H2,32,35,36)(H2,44,45,46)/t20-,24-,25-,26+,30-/m1/s1 | | Definition date: | 2013-09-02 | | Last modified: | 2014-08-29 | | Release date: | 2014-09-03 | | Identifier: | S-{(3S,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} decanethioate (non-preferred name) |
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 | | 26N | | Name: | Nalpha-(2-fluoro-4-{4-[4-(trifluoromethyl)phenyl]piperazin-1-yl}benzoyl)-N-pyridin-4-yl-D-tryptophanamide | | Formula: | C34 H30 F4 N6 O2 | | SMILES: | O=C(Nc1ccncc1)C(NC(=O)c2c(F)cc(cc2)N4CCN(c3ccc(cc3)C(F)(F)F)CC4)Cc6c5ccccc5nc6 | | InChi: | InChI=1S/C34H30F4N6O2/c35-29-20-26(44-17-15-43(16-18-44)25-7-5-23(6-8-25)34(36,37)38)9-10-28(29)32(45)42-31(33(46)41-24-11-13-39-14-12-24)19-22-21-40-30-4-2-1-3-27(22)30/h1-14,20-21,31,40H,15-19H2,(H,42,45)(H,39,41,46)/t31-/m1/s1 | | Definition date: | 2013-08-19 | | Last modified: | 2014-08-29 | | Release date: | 2014-09-03 | | Identifier: | Nalpha-(2-fluoro-4-{4-[4-(trifluoromethyl)phenyl]piperazin-1-yl}benzoyl)-N-pyridin-4-yl-D-tryptophanamide |
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 | | 27D | | Name: | 1-[5-(4-amino-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-4-fluoro-1H-indol-1-yl]-2-(6-methylpyridin-2-yl)ethanone | | Formula: | C23 H19 F N6 O | | SMILES: | Fc1c(ccc2c1ccn2C(=O)Cc3nc(ccc3)C)c5c4c(ncnc4n(c5)C)N | | InChi: | InChI=1S/C23H19FN6O/c1-13-4-3-5-14(28-13)10-19(31)30-9-8-16-18(30)7-6-15(21(16)24)17-11-29(2)23-20(17)22(25)26-12-27-23/h3-9,11-12H,10H2,1-2H3,(H2,25,26,27) | | Definition date: | 2013-09-05 | | Last modified: | 2014-08-29 | | Release date: | 2014-09-03 | | Identifier: | 1-[5-(4-amino-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-4-fluoro-1H-indol-1-yl]-2-(6-methylpyridin-2-yl)ethanone |
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 | | 27G | | Name: | benzyl butyl benzene-1,2-dicarboxylate | | Formula: | C19 H20 O4 | | SMILES: | O=C(OCc1ccccc1)c2ccccc2C(=O)OCCCC | | InChi: | InChI=1S/C19H20O4/c1-2-3-13-22-18(20)16-11-7-8-12-17(16)19(21)23-14-15-9-5-4-6-10-15/h4-12H,2-3,13-14H2,1H3 | | Definition date: | 2013-09-05 | | Last modified: | 2014-08-29 | | Release date: | 2014-09-03 | | Identifier: | benzyl butyl benzene-1,2-dicarboxylate |
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 | | 27K | | Name: | butyl 4-hydroxybenzoate | | Formula: | C11 H14 O3 | | SMILES: | O=C(OCCCC)c1ccc(O)cc1 | | InChi: | InChI=1S/C11H14O3/c1-2-3-8-14-11(13)9-4-6-10(12)7-5-9/h4-7,12H,2-3,8H2,1H3 | | Definition date: | 2013-09-05 | | Last modified: | 2014-08-29 | | Release date: | 2014-09-03 | | Identifier: | butyl 4-hydroxybenzoate |
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 | | 27L | | Name: | 4-(2,4,4-trimethylpentan-2-yl)phenol | | Formula: | C14 H22 O | | SMILES: | Oc1ccc(cc1)C(CC(C)(C)C)(C)C | | InChi: | InChI=1S/C14H22O/c1-13(2,3)10-14(4,5)11-6-8-12(15)9-7-11/h6-9,15H,10H2,1-5H3 | | Definition date: | 2013-09-05 | | Last modified: | 2014-08-29 | | Release date: | 2014-09-03 | | Identifier: | 4-(2,4,4-trimethylpentan-2-yl)phenol |
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 | | 27M | | Name: | bis(2,4-dihydroxyphenyl)methanone | | Formula: | C13 H10 O5 | | SMILES: | O=C(c1ccc(O)cc1O)c2ccc(O)cc2O | | InChi: | InChI=1S/C13H10O5/c14-7-1-3-9(11(16)5-7)13(18)10-4-2-8(15)6-12(10)17/h1-6,14-17H | | Definition date: | 2013-09-05 | | Last modified: | 2014-08-29 | | Release date: | 2014-09-03 | | Identifier: | bis(2,4-dihydroxyphenyl)methanone |
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 | | 27N | | Name: | 4,4'-(2,2,2-trichloroethane-1,1-diyl)diphenol | | Formula: | C14 H11 Cl3 O2 | | SMILES: | ClC(Cl)(Cl)C(c1ccc(O)cc1)c2ccc(O)cc2 | | InChi: | InChI=1S/C14H11Cl3O2/c15-14(16,17)13(9-1-5-11(18)6-2-9)10-3-7-12(19)8-4-10/h1-8,13,18-19H | | Definition date: | 2013-09-05 | | Last modified: | 2014-08-29 | | Release date: | 2014-09-03 | | Identifier: | 4,4'-(2,2,2-trichloroethane-1,1-diyl)diphenol |
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 | | 27Q | | Name: | N-heptyl-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide | | Formula: | C16 H33 N2 O7 P | | SMILES: | O=P(OCC(C(O)C(=O)NCCC(=O)NCCCCCCC)(C)C)(O)O | | InChi: | InChI=1S/C16H33N2O7P/c1-4-5-6-7-8-10-17-13(19)9-11-18-15(21)14(20)16(2,3)12-25-26(22,23)24/h14,20H,4-12H2,1-3H3,(H,17,19)(H,18,21)(H2,22,23,24)/t14-/m0/s1 | | Definition date: | 2013-09-05 | | Last modified: | 2014-08-29 | | Release date: | 2014-09-03 | | Identifier: | N-heptyl-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide |
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 | | H07 | | Name: | (2S,4aR,6R,7R,7aR)-6-{6-amino-8-[(4-chlorophenyl)sulfanyl]-9H-purin-9-yl}-7-methoxytetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-ol 2-oxide | | Formula: | C17 H17 Cl N5 O6 P S | | SMILES: | Clc5ccc(Sc2nc1c(ncnc1n2C4OC3COP(=O)(OC3C4OC)O)N)cc5 | | InChi: | InChI=1S/C17H17ClN5O6PS/c1-26-13-12-10(6-27-30(24,25)29-12)28-16(13)23-15-11(14(19)20-7-21-15)22-17(23)31-9-4-2-8(18)3-5-9/h2-5,7,10,12-13,16H,6H2,1H3,(H,24,25)(H2,19,20,21)/t10-,12-,13-,16-/m1/s1 | | Definition date: | 2013-09-12 | | Last modified: | 2014-08-29 | | Release date: | 2014-09-03 | | Identifier: | (2S,4aR,6R,7R,7aR)-6-{6-amino-8-[(4-chlorophenyl)sulfanyl]-9H-purin-9-yl}-7-methoxytetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-ol 2-oxide |
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