| SVN | Name: | thieno[2,3-b]pyrazin-7-amine | Formula: | C6 H5 N3 S | SMILES: | n1c2scc(c2ncc1)N | InChi: | InChI=1S/C6H5N3S/c7-4-3-10-6-5(4)8-1-2-9-6/h1-3H,7H2 | Definition date: | 2014-01-08 | Last modified: | 2014-04-11 | Release date: | 2014-04-16 | Identifier: | thieno[2,3-b]pyrazin-7-amine |
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| SXS | Name: | 6-amino-1,2-benzothiazol-3(2H)-one 1,1-dioxide | Formula: | C7 H6 N2 O3 S | SMILES: | O=C2c1ccc(cc1S(=O)(=O)N2)N | InChi: | InChI=1S/C7H6N2O3S/c8-4-1-2-5-6(3-4)13(11,12)9-7(5)10/h1-3H,8H2,(H,9,10) | Definition date: | 2014-02-10 | Last modified: | 2014-04-11 | Release date: | 2014-04-16 | Identifier: | 6-amino-1,2-benzothiazol-3(2H)-one 1,1-dioxide |
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| AUB | Name: | 4-[(trans-4-{[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-ylcarbamoyl]amino}cyclohexyl)oxy]benzoic acid | Formula: | C24 H32 N2 O4 | SMILES: | O=C(O)c5ccc(OC4CCC(NC(=O)NC13CC2CC(C1)CC(C2)C3)CC4)cc5 | InChi: | InChI=1S/C24H32N2O4/c27-22(28)18-1-5-20(6-2-18)30-21-7-3-19(4-8-21)25-23(29)26-24-12-15-9-16(13-24)11-17(10-15)14-24/h1-2,5-6,15-17,19,21H,3-4,7-14H2,(H,27,28)(H2,25,26,29)/t15-,16+,17-,19-,21-,24- | Definition date: | 2013-11-07 | Last modified: | 2014-04-11 | Release date: | 2014-04-16 | Identifier: | 4-[(trans-4-{[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-ylcarbamoyl]amino}cyclohexyl)oxy]benzoic acid |
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| 2C9 | Name: | 3-methylbenzene-1,2-diamine | Formula: | C7 H10 N2 | SMILES: | Nc1c(cccc1N)C | InChi: | InChI=1S/C7H10N2/c1-5-3-2-4-6(8)7(5)9/h2-4H,8-9H2,1H3 | Definition date: | 2013-09-20 | Last modified: | 2014-04-11 | Release date: | 2014-04-16 | Identifier: | 3-methylbenzene-1,2-diamine |
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| 2CK | Name: | 1,2,3,4-tetrahydroisoquinoline | Formula: | C9 H11 N | SMILES: | c1ccc2c(c1)CNCC2 | InChi: | InChI=1S/C9H11N/c1-2-4-9-7-10-6-5-8(9)3-1/h1-4,10H,5-7H2 | Definition date: | 2013-09-20 | Last modified: | 2014-04-11 | Release date: | 2014-04-16 | Identifier: | 1,2,3,4-tetrahydroisoquinoline |
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| 2GD | Name: | 6-(2,3-dichlorophenyl)-N~4~-methylpyrimidine-2,4-diamine | Formula: | C11 H10 Cl2 N4 | SMILES: | Clc2c(Cl)c(c1nc(nc(c1)NC)N)ccc2 | InChi: | InChI=1S/C11H10Cl2N4/c1-15-9-5-8(16-11(14)17-9)6-3-2-4-7(12)10(6)13/h2-5H,1H3,(H3,14,15,16,17) | Definition date: | 2013-10-12 | Last modified: | 2014-04-11 | Release date: | 2014-04-16 | Identifier: | 6-(2,3-dichlorophenyl)-N~4~-methylpyrimidine-2,4-diamine |
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| 2GE | Name: | N~4~-cyclopropyl-6-(2,3-dichlorophenyl)pyrimidine-2,4-diamine | Formula: | C13 H12 Cl2 N4 | SMILES: | Clc3c(Cl)c(c1nc(nc(c1)NC2CC2)N)ccc3 | InChi: | InChI=1S/C13H12Cl2N4/c14-9-3-1-2-8(12(9)15)10-6-11(17-7-4-5-7)19-13(16)18-10/h1-3,6-7H,4-5H2,(H3,16,17,18,19) | Definition date: | 2013-10-15 | Last modified: | 2014-04-11 | Release date: | 2014-04-16 | Identifier: | N~4~-cyclopropyl-6-(2,3-dichlorophenyl)pyrimidine-2,4-diamine |
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| 2H1 | Name: | 3-[2-(benzyloxy)-8-methylquinolin-6-yl]-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine | Formula: | C25 H24 N6 O | SMILES: | n1c(c2c(nc1)n(nc2c5cc4ccc(OCc3ccccc3)nc4c(c5)C)C(C)C)N | InChi: | InChI=1S/C25H24N6O/c1-15(2)31-25-21(24(26)27-14-28-25)23(30-31)19-11-16(3)22-18(12-19)9-10-20(29-22)32-13-17-7-5-4-6-8-17/h4-12,14-15H,13H2,1-3H3,(H2,26,27,28) | Definition date: | 2013-10-18 | Last modified: | 2014-04-11 | Release date: | 2014-04-16 | Identifier: | 3-[2-(benzyloxy)-8-methylquinolin-6-yl]-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine |
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| 2HD | Name: | (2R)-2,3-dibutoxypropyl (R)-octylphosphinate | Formula: | C19 H41 O4 P | SMILES: | O=P(OCC(OCCCC)COCCCC)CCCCCCCC | InChi: | InChI=1S/C19H41O4P/c1-4-7-10-11-12-13-16-24(20)23-18-19(22-15-9-6-3)17-21-14-8-5-2/h19,24H,4-18H2,1-3H3/t19-/m1/s1 | Definition date: | 2013-10-21 | Last modified: | 2014-04-11 | Release date: | 2014-04-16 | Identifier: | (2R)-2,3-dibutoxypropyl (R)-octylphosphinate |
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| 2L1 | Name: | 2-[(4-methyl-1H-imidazol-5-yl)methyl]-1,2,3,4-tetrahydroisoquinoline | Formula: | C14 H17 N3 | SMILES: | n1c(c(nc1)CN3Cc2c(cccc2)CC3)C | InChi: | InChI=1S/C14H17N3/c1-11-14(16-10-15-11)9-17-7-6-12-4-2-3-5-13(12)8-17/h2-5,10H,6-9H2,1H3,(H,15,16) | Definition date: | 2013-11-25 | Last modified: | 2014-04-11 | Release date: | 2014-04-16 | Identifier: | 2-[(4-methyl-1H-imidazol-5-yl)methyl]-1,2,3,4-tetrahydroisoquinoline |
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| 2L2 | Name: | 2-[(4-methyl-1H-imidazol-5-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-8-amine | Formula: | C14 H18 N4 | SMILES: | n1c(c(nc1)CN3Cc2c(cccc2N)CC3)C | InChi: | InChI=1S/C14H18N4/c1-10-14(17-9-16-10)8-18-6-5-11-3-2-4-13(15)12(11)7-18/h2-4,9H,5-8,15H2,1H3,(H,16,17) | Definition date: | 2013-11-25 | Last modified: | 2014-04-11 | Release date: | 2014-04-16 | Identifier: | 2-[(4-methyl-1H-imidazol-5-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-8-amine |
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| 24W | Name: | 1,2,3,4-tetrahydroisoquinolin-5-amine | Formula: | C9 H12 N2 | SMILES: | c12cccc(c1CCNC2)N | InChi: | InChI=1S/C9H12N2/c10-9-3-1-2-7-6-11-5-4-8(7)9/h1-3,11H,4-6,10H2 | Definition date: | 2013-09-20 | Last modified: | 2014-04-11 | Release date: | 2014-04-16 | Identifier: | 1,2,3,4-tetrahydroisoquinolin-5-amine |
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| W83 | Name: | 5-{2-[7-(methoxymethoxy)naphthalen-2-yl]ethyl}-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid | Formula: | C19 H18 N2 O6 | SMILES: | O=C1NC(C(=O)O)=C(C(=O)N1)CCc3cc2cc(OCOC)ccc2cc3 | InChi: | InChI=1S/C19H18N2O6/c1-26-10-27-14-6-5-12-4-2-11(8-13(12)9-14)3-7-15-16(18(23)24)20-19(25)21-17(15)22/h2,4-6,8-9H,3,7,10H2,1H3,(H,23,24)(H2,20,21,22,25) | Definition date: | 2013-03-18 | Last modified: | 2014-04-04 | Release date: | 2014-04-09 | Identifier: | 5-{2-[7-(methoxymethoxy)naphthalen-2-yl]ethyl}-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid |
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| W87 | Name: | 5-{4-[5-(methoxycarbonyl)naphthalen-2-yl]butyl}-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid | Formula: | C21 H20 N2 O6 | SMILES: | O=C1NC(C(=O)O)=C(C(=O)N1)CCCCc3cc2cccc(C(=O)OC)c2cc3 | InChi: | InChI=1S/C21H20N2O6/c1-29-20(27)15-8-4-6-13-11-12(9-10-14(13)15)5-2-3-7-16-17(19(25)26)22-21(28)23-18(16)24/h4,6,8-11H,2-3,5,7H2,1H3,(H,25,26)(H2,22,23,24,28) | Definition date: | 2013-03-18 | Last modified: | 2014-04-04 | Release date: | 2014-04-09 | Identifier: | 5-{4-[5-(methoxycarbonyl)naphthalen-2-yl]butyl}-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid |
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| 2Q9 | Name: | 2,7,7-trimethyl-9-[1-oxo-8-(propan-2-ylamino)-1,2,3,4-tetrahydroisoquinolin-6-yl]-1,2,3,4,6,7,8,9-octahydro-5H-beta-carbolin-5-one | Formula: | C26 H34 N4 O2 | SMILES: | O=C5NCCc4cc(n1c3c(c2c1CN(CC2)C)C(=O)CC(C3)(C)C)cc(NC(C)C)c45 | InChi: | InChI=1S/C26H34N4O2/c1-15(2)28-19-11-17(10-16-6-8-27-25(32)23(16)19)30-20-12-26(3,4)13-22(31)24(20)18-7-9-29(5)14-21(18)30/h10-11,15,28H,6-9,12-14H2,1-5H3,(H,27,32) | Definition date: | 2014-01-07 | Last modified: | 2014-04-04 | Release date: | 2014-04-09 | Identifier: | 2,7,7-trimethyl-9-[1-oxo-8-(propan-2-ylamino)-1,2,3,4-tetrahydroisoquinolin-6-yl]-1,2,3,4,6,7,8,9-octahydro-5H-beta-carbolin-5-one |
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| 2QA | Name: | 8-cyclopentyl-6-(3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indol-1-yl)-3,4-dihydroisoquinolin-1(2H)-one | Formula: | C25 H30 N2 O2 | SMILES: | O=C2NCCc1cc(cc(c12)C3CCCC3)n5c4c(C(=O)CC(C4)(C)C)c(c5)C | InChi: | InChI=1S/C25H30N2O2/c1-15-14-27(20-12-25(2,3)13-21(28)22(15)20)18-10-17-8-9-26-24(29)23(17)19(11-18)16-6-4-5-7-16/h10-11,14,16H,4-9,12-13H2,1-3H3,(H,26,29) | Definition date: | 2014-01-07 | Last modified: | 2014-04-04 | Release date: | 2014-04-09 | Identifier: | 8-cyclopentyl-6-(3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indol-1-yl)-3,4-dihydroisoquinolin-1(2H)-one |
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| 2R6 | Name: | 8-(2-methylpropyl)-6-(3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indol-1-yl)-3,4-dihydroisoquinolin-1(2H)-one | Formula: | C24 H30 N2 O2 | SMILES: | O=C2NCCc1cc(cc(c12)CC(C)C)n4c3c(C(=O)CC(C3)(C)C)c(c4)C | InChi: | InChI=1S/C24H30N2O2/c1-14(2)8-17-10-18(9-16-6-7-25-23(28)22(16)17)26-13-15(3)21-19(26)11-24(4,5)12-20(21)27/h9-10,13-14H,6-8,11-12H2,1-5H3,(H,25,28) | Definition date: | 2014-01-10 | Last modified: | 2014-04-04 | Release date: | 2014-04-09 | Identifier: | 8-(2-methylpropyl)-6-(3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indol-1-yl)-3,4-dihydroisoquinolin-1(2H)-one |
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| 2VH | Name: | (2R,3S,5R)-5-[2-(methylsulfonyl)-2,6-dihydropyrrolo[3,4-c]pyrazol-5(4H)-yl]-2-(2,4,5-trifluorophenyl)tetrahydro-2H-pyran-3-amine | Formula: | C17 H19 F3 N4 O3 S | SMILES: | O=S(=O)(n1nc2c(c1)CN(C2)C3CC(N)C(OC3)c4cc(F)c(F)cc4F)C | InChi: | InChI=1S/C17H19F3N4O3S/c1-28(25,26)24-6-9-5-23(7-16(9)22-24)10-2-15(21)17(27-8-10)11-3-13(19)14(20)4-12(11)18/h3-4,6,10,15,17H,2,5,7-8,21H2,1H3/t10-,15+,17-/m1/s1 | Definition date: | 2014-02-24 | Last modified: | 2014-04-04 | Release date: | 2014-04-09 | Identifier: | (2R,3S,5R)-5-[2-(methylsulfonyl)-2,6-dihydropyrrolo[3,4-c]pyrazol-5(4H)-yl]-2-(2,4,5-trifluorophenyl)tetrahydro-2H-pyran-3-amine |
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| 2VX | Name: | N-{2,4-difluoro-3-[methyl(3-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)amino]phenyl}propane-1-sulfonamide | Formula: | C19 H20 F2 N4 O3 S | SMILES: | O=S(=O)(Nc1ccc(F)c(c1F)N(c2ccc3N=CN(C(=O)c3c2)C)C)CCC | InChi: | InChI=1S/C19H20F2N4O3S/c1-4-9-29(27,28)23-16-8-6-14(20)18(17(16)21)25(3)12-5-7-15-13(10-12)19(26)24(2)11-22-15/h5-8,10-11,23H,4,9H2,1-3H3 | Definition date: | 2014-02-28 | Last modified: | 2014-04-04 | Release date: | 2014-04-09 | Identifier: | N-{2,4-difluoro-3-[methyl(3-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)amino]phenyl}propane-1-sulfonamide |
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| 3AK | Name: | 1-benzyl-1H-indole-2,3-dione | Formula: | C15 H11 N O2 | SMILES: | O=C2c1ccccc1N(C2=O)Cc3ccccc3 | InChi: | InChI=1S/C15H11NO2/c17-14-12-8-4-5-9-13(12)16(15(14)18)10-11-6-2-1-3-7-11/h1-9H,10H2 | Definition date: | 2013-06-04 | Last modified: | 2014-04-04 | Release date: | 2014-04-09 | Identifier: | 1-benzyl-1H-indole-2,3-dione |
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| RMD | Name: | [(1,2,5,6-eta)-cyclooctane-1,2,5,6-tetrayl]{(1,2,3,4,5-eta)-1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]cyclopentadienyl}rhodium | Formula: | C19 H24 N O2 Rh | SMILES: | O=C1N(C(=O)CC1)CCC2%10C7C8C9C2[Rh]789%10456C3CCC6C5CCC34 | InChi: | InChI=1S/C11H12NO2.C8H12.Rh/c13-10-5-6-11(14)12(10)8-7-9-3-1-2-4-9 | Definition date: | 2013-10-18 | Last modified: | 2014-04-04 | Release date: | 2014-04-09 | Identifier: | [(1,2,5,6-eta)-cyclooctane-1,2,5,6-tetrayl]{(1,2,3,4,5-eta)-1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]cyclopentadienyl}rhodium |
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| SFF | Name: | (4aS,8aR)-N-cyclohexyl-4a,5,6,7,8,8a-hexahydro-4,1,2-benzoxathiazin-3-amine 1,1-dioxide | Formula: | C13 H22 N2 O3 S | SMILES: | O=S2(=O)N=C(OC1C2CCCC1)NC3CCCCC3 | InChi: | InChI=1S/C13H22N2O3S/c16-19(17)12-9-5-4-8-11(12)18-13(15-19)14-10-6-2-1-3-7-10/h10-12H,1-9H2,(H,14,15)/t11-,12+/m0/s1 | Definition date: | 2013-04-27 | Last modified: | 2014-04-04 | Release date: | 2014-04-09 | Identifier: | (4aS,8aR)-N-cyclohexyl-4a,5,6,7,8,8a-hexahydro-4,1,2-benzoxathiazin-3-amine 1,1-dioxide |
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| T46 | Name: | dTDP-4-keto-6-deoxyglucose | Formula: | C16 H24 N2 O15 P2 | SMILES: | O=C1C(=CN(C(=O)N1)C2OC(C(O)C2)COP(=O)(OP(=O)(OC3OC(C(=O)C(O)C3O)C)O)O)C | InChi: | InChI=1S/C16H24N2O15P2/c1-6-4-18(16(24)17-14(6)23)10-3-8(19)9(31-10)5-29-34(25,26)33-35(27,28)32-15-13(22)12(21)11(20)7(2)30-15/h4,7-10,12-13,15,19,21-22H,3,5H2,1-2H3,(H,25,26)(H,27,28)(H,17,23,24)/t7-,8+,9-,10-,12+,13-,15-/m1/s1 | Definition date: | 2014-01-08 | Last modified: | 2014-04-04 | Release date: | 2014-04-09 | Identifier: | (2R,3R,4R,6R)-3,4-dihydroxy-6-methyl-5-oxotetrahydro-2H-pyran-2-yl [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name) |
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| FGH | Name: | 2,7,7-trimethyl-9-[8-(2-methylpropyl)-1-oxo-1,2,3,4-tetrahydroisoquinolin-6-yl]-1,2,3,4,6,7,8,9-octahydro-5H-beta-carbolin-5-one | Formula: | C27 H35 N3 O2 | SMILES: | O=C5NCCc4cc(n1c3c(c2c1CN(CC2)C)C(=O)CC(C3)(C)C)cc(c45)CC(C)C | InChi: | InChI=1S/C27H35N3O2/c1-16(2)10-18-12-19(11-17-6-8-28-26(32)24(17)18)30-21-13-27(3,4)14-23(31)25(21)20-7-9-29(5)15-22(20)30/h11-12,16H,6-10,13-15H2,1-5H3,(H,28,32) | Definition date: | 2014-01-07 | Last modified: | 2014-04-04 | Release date: | 2014-04-09 | Identifier: | 2,7,7-trimethyl-9-[8-(2-methylpropyl)-1-oxo-1,2,3,4-tetrahydroisoquinolin-6-yl]-1,2,3,4,6,7,8,9-octahydro-5H-beta-carbolin-5-one |
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| 2AK | Name: | 7-bromo-5-methyl-1H-indole-2,3-dione | Formula: | C9 H6 Br N O2 | SMILES: | Brc1cc(cc2c1NC(=O)C2=O)C | InChi: | InChI=1S/C9H6BrNO2/c1-4-2-5-7(6(10)3-4)11-9(13)8(5)12/h2-3H,1H3,(H,11,12,13) | Definition date: | 2013-06-04 | Last modified: | 2014-04-04 | Release date: | 2014-04-09 | Identifier: | 7-bromo-5-methyl-1H-indole-2,3-dione |
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