 | | ZZL | | Name: | 4-{[9-CHLORO-7-(2,6-DIFLUOROPHENYL)-5H-PYRIMIDO[5,4-D][2]BENZAZEPIN-2-YL]AMINO}BENZOIC ACID | | Formula: | C25 H15 Cl F2 N4 O2 | | SMILES: | Fc5cccc(F)c5C2=NCc1cnc(nc1c3ccc(Cl)cc23)Nc4ccc(C(=O)O)cc4 | | InChi: | InChI=1S/C25H15ClF2N4O2/c26-15-6-9-17-18(10-15)23(21-19(27)2-1-3-20(21)28)29-11-14-12-30-25(32-22(14)17)31-16-7-4-13(5-8-16)24(33)34/h1-10,12H,11H2,(H,33,34)(H,30,31,32) | | Definition date: | 2009-09-22 | | Last modified: | 2011-06-04 | | Identifier: | 4-{[9-chloro-7-(2,6-difluorophenyl)-5H-pyrimido[5,4-d][2]benzazepin-2-yl]amino}benzoic acid |
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 | | ZZM | | Name: | 1-(1-METHYLETHYL)-3-(PYRIDIN-3-YLETHYNYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-AMINE | | Formula: | C15 H14 N6 | | SMILES: | n1c(c3c(nc1)n(nc3C#Cc2cccnc2)C(C)C)N | | InChi: | InChI=1S/C15H14N6/c1-10(2)21-15-13(14(16)18-9-19-15)12(20-21)6-5-11-4-3-7-17-8-11/h3-4,7-10H,1-2H3,(H2,16,18,19) | | Definition date: | 2009-11-09 | | Last modified: | 2011-06-04 | | Identifier: | 1-(1-methylethyl)-3-(pyridin-3-ylethynyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine |
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 | | ZZN | | Name: | 2-{[4-amino-3-(3-fluoro-5-hydroxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]methyl}-5-methyl-3-(2-methylphenyl)quinazolin-4(3H)-one | | Formula: | C28 H22 F N7 O2 | | SMILES: | Fc6cc(c2nn(c1ncnc(c12)N)CC4=Nc5cccc(c5C(=O)N4c3ccccc3C)C)cc(O)c6 | | InChi: | InChI=1S/C28H22FN7O2/c1-15-6-3-4-9-21(15)36-22(33-20-8-5-7-16(2)23(20)28(36)38)13-35-27-24(26(30)31-14-32-27)25(34-35)17-10-18(29)12-19(37)11-17/h3-12,14,37H,13H2,1-2H3,(H2,30,31,32) | | Definition date: | 2009-11-09 | | Last modified: | 2011-06-04 | | Identifier: | 2-{[4-amino-3-(3-fluoro-5-hydroxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]methyl}-5-methyl-3-(2-methylphenyl)quinazolin-4(3H)-one |
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 | | ZZO | | Name: | 2-{[4-amino-3-(3-fluoro-4-hydroxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]methyl}-5-methyl-3-(2-methylphenyl)quinazolin-4(3H)-one | | Formula: | C28 H22 F N7 O2 | | SMILES: | Fc6c(O)ccc(c2nn(c1ncnc(c12)N)CC4=Nc5cccc(c5C(=O)N4c3ccccc3C)C)c6 | | InChi: | InChI=1S/C28H22FN7O2/c1-15-6-3-4-9-20(15)36-22(33-19-8-5-7-16(2)23(19)28(36)38)13-35-27-24(26(30)31-14-32-27)25(34-35)17-10-11-21(37)18(29)12-17/h3-12,14,37H,13H2,1-2H3,(H2,30,31,32) | | Definition date: | 2009-11-09 | | Last modified: | 2011-06-04 | | Identifier: | 2-{[4-amino-3-(3-fluoro-4-hydroxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]methyl}-5-methyl-3-(2-methylphenyl)quinazolin-4(3H)-one |
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 | | DE3 | | Name: | N,N-diethyl-3-methylbenzamide | | Formula: | C12 H17 N O | | SMILES: | O=C(N(CC)CC)c1cccc(c1)C | | InChi: | InChI=1S/C12H17NO/c1-4-13(5-2)12(14)11-8-6-7-10(3)9-11/h6-9H,4-5H2,1-3H3 | | Definition date: | 2010-06-07 | | Last modified: | 2011-06-04 | | Identifier: | N,N-diethyl-3-methylbenzamide |
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 | | ZZP | | Name: | N-(3-{[(1Z)-3,5-DIMETHOXYCYCLOHEXA-2,4-DIEN-1-YLIDENE]AMINO}QUINOXALIN-2-YL)-4-FLUOROBENZENESULFONAMIDE | | Formula: | C22 H19 F N4 O4 S | | SMILES: | Fc1ccc(cc1)S(=O)(=O)Nc3nc4ccccc4nc3N=C2/C=C(OC)C=C(OC)C2 | | InChi: | InChI=1S/C22H19FN4O4S/c1-30-16-11-15(12-17(13-16)31-2)24-21-22(26-20-6-4-3-5-19(20)25-21)27-32(28,29)18-9-7-14(23)8-10-18/h3-11,13H,12H2,1-2H3,(H,26,27)/b24-15+ | | Definition date: | 2009-11-09 | | Last modified: | 2011-06-04 | | Identifier: | N-(3-{[(1Z)-3,5-dimethoxycyclohexa-2,4-dien-1-ylidene]amino}quinoxalin-2-yl)-4-fluorobenzenesulfonamide |
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 | | ZZQ | | Name: | 2-{[3-(2-METHOXYPHENYL)-4-OXO-3,4,5,6,7,8-HEXAHYDROQUINAZOLIN-2-YL]SULFANYL}-N-QUINOXALIN-6-YLACETAMIDE | | Formula: | C25 H23 N5 O3 S | | SMILES: | O=C3C5=C(N=C(SCC(=O)Nc2cc1nccnc1cc2)N3c4ccccc4OC)CCCC5 | | InChi: | InChI=1S/C25H23N5O3S/c1-33-22-9-5-4-8-21(22)30-24(32)17-6-2-3-7-18(17)29-25(30)34-15-23(31)28-16-10-11-19-20(14-16)27-13-12-26-19/h4-5,8-14H,2-3,6-7,15H2,1H3,(H,28,31) | | Definition date: | 2009-11-09 | | Last modified: | 2011-06-04 | | Identifier: | 2-{[3-(2-methoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl]sulfanyl}-N-quinoxalin-6-ylacetamide |
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 | | DEA | | Name: | D-ERITADENINE | | Formula: | C9 H11 N5 O4 | | SMILES: | O=C(O)C(O)C(O)Cn1c2ncnc(c2nc1)N | | InChi: | InChI=1S/C9H11N5O4/c10-7-5-8(12-2-11-7)14(3-13-5)1-4(15)6(16)9(17)18/h2-4,6,15-16H,1H2,(H,17,18)(H2,10,11,12)/t4-,6-/m1/s1 | | Definition date: | 1999-10-12 | | Last modified: | 2011-06-04 | | Identifier: | (2R,3R)-4-(6-amino-9H-purin-9-yl)-2,3-dihydroxybutanoic acid |
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 | | ZZV | | Name: | N-[7-(4-fluorobenzyl)-9-hydroxy-8-oxo-7,8-dihydro-6H-pyrrolo[3,4-g]quinolin-5-yl]-N-methylmethanesulfonamide | | Formula: | C20 H18 F N3 O4 S | | SMILES: | O=S(=O)(N(c2c1cccnc1c(O)c3c2CN(C3=O)Cc4ccc(F)cc4)C)C | | InChi: | InChI=1S/C20H18FN3O4S/c1-23(29(2,27)28)18-14-4-3-9-22-17(14)19(25)16-15(18)11-24(20(16)26)10-12-5-7-13(21)8-6-12/h3-9,25H,10-11H2,1-2H3 | | Definition date: | 2010-10-04 | | Last modified: | 2011-06-04 | | Identifier: | N-[7-(4-fluorobenzyl)-9-hydroxy-8-oxo-7,8-dihydro-6H-pyrrolo[3,4-g]quinolin-5-yl]-N-methylmethanesulfonamide |
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 | | DEB | | Name: | 6-DEOXYERYTHRONOLIDE B | | Formula: | C21 H38 O6 | | SMILES: | O=C1OC(C(C(O)C(C(=O)C(CC(C)C(O)C(C)C(O)C1C)C)C)C)CC | | InChi: | InChI=1S/C21H38O6/c1-8-16-12(4)19(24)13(5)17(22)10(2)9-11(3)18(23)14(6)20(25)15(7)21(26)27-16/h10-16,18-20,23-25H,8-9H2,1-7H3/t10-,11+,12+,13+,14-,15-,16-,18+,19+,20+/m1/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | (3R,4S,5R,6S,7S,9R,11R,12S,13R,14R)-14-ethyl-4,6,12-trihydroxy-3,5,7,9,11,13-hexamethyloxacyclotetradecane-2,10-dione |
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 | | ZZW | | Name: | 9-(4-fluorobenzyl)-N-hydroxy-9H-beta-carboline-3-carboxamide | | Formula: | C19 H14 F N3 O2 | | SMILES: | Fc1ccc(cc1)Cn3c4c(c2cc(ncc23)C(=O)NO)cccc4 | | InChi: | InChI=1S/C19H14FN3O2/c20-13-7-5-12(6-8-13)11-23-17-4-2-1-3-14(17)15-9-16(19(24)22-25)21-10-18(15)23/h1-10,25H,11H2,(H,22,24) | | Definition date: | 2010-10-04 | | Last modified: | 2011-06-04 | | Identifier: | 9-(4-fluorobenzyl)-N-hydroxy-9H-beta-carboline-3-carboxamide |
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 | | ZZX | | Name: | (6S)-2-(3-chloro-4-fluorobenzyl)-8-ethyl-10-hydroxy-N,6-dimethyl-1,9-dioxo-1,2,6,7,8,9-hexahydropyrazino[1',2':1,5]pyrrolo[2,3-d]pyridazine-4-carboxamide | | Formula: | C21 H21 Cl F N5 O4 | | SMILES: | Fc1ccc(cc1Cl)CN4N=C(c3n2c(C(=O)N(CC2C)CC)c(O)c3C4=O)C(=O)NC | | InChi: | InChI=1S/C21H21ClFN5O4/c1-4-26-8-10(2)28-16-14(18(29)17(28)21(26)32)20(31)27(25-15(16)19(30)24-3)9-11-5-6-13(23)12(22)7-11/h5-7,10,29H,4,8-9H2,1-3H3,(H,24,30)/t10-/m0/s1 | | Definition date: | 2010-10-04 | | Last modified: | 2011-06-04 | | Identifier: | (6S)-2-(3-chloro-4-fluorobenzyl)-8-ethyl-10-hydroxy-N,6-dimethyl-1,9-dioxo-1,2,6,7,8,9-hexahydropyrazino[1',2':1,5]pyrrolo[2,3-d]pyridazine-4-carboxamide |
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 | | DED | | Name: | 2-DIMETHYLAMINO-ETHYL-DIPHOSPHATE | | Formula: | C4 H13 N O7 P2 | | SMILES: | O=P(OP(=O)(OCCN(C)C)O)(O)O | | InChi: | InChI=1S/C4H13NO7P2/c1-5(2)3-4-11-14(9,10)12-13(6,7)8/h3-4H2,1-2H3,(H,9,10)(H2,6,7,8) | | Definition date: | 2002-12-30 | | Last modified: | 2011-06-04 | | Identifier: | 2-(dimethylamino)ethyl trihydrogen diphosphate |
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 | | ZZY | | Name: | 1-[(2-NITROPHENYL)SULFONYL]-1H-PYRROLO[3,2-B]PYRIDINE-6-CARBOXAMIDE | | Formula: | C14 H10 N4 O5 S | | SMILES: | [O-][N+](=O)c1ccccc1S(=O)(=O)n3c2cc(cnc2cc3)C(=O)N | | InChi: | InChI=1S/C14H10N4O5S/c15-14(19)9-7-12-10(16-8-9)5-6-17(12)24(22,23)13-4-2-1-3-11(13)18(20)21/h1-8H,(H2,15,19) | | Definition date: | 2009-03-19 | | Last modified: | 2011-06-04 | | Identifier: | 1-[(2-nitrophenyl)sulfonyl]-1H-pyrrolo[3,2-b]pyridine-6-carboxamide |
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 | | DEH | | Name: | 2,9-dihydroxy-3,10-dimethoxy-5,6-dihydroisoquino[3,2-a]isoquinolinium | | Formula: | C19 H18 N O4 | | SMILES: | Oc4cc3c2cc1ccc(OC)c(O)c1c[n+]2CCc3cc4OC | | InChi: | InChI=1S/C19H17NO4/c1-23-17-4-3-11-7-15-13-9-16(21)18(24-2)8-12(13)5-6-20(15)10-14(11)19(17)22/h3-4,7-10,21H,5-6H2,1-2H3/p+1 | | Definition date: | 2009-04-09 | | Last modified: | 2011-06-04 | | Identifier: | 2,9-dihydroxy-3,10-dimethoxy-5,6-dihydroisoquino[3,2-a]isoquinolinium |
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 | | DEO | | Name: | 2-[2-(1,3-DIOXO-1,3-DIHYDRO-2H-ISOINDOL-2-YL)ETHYL]-4-(4'-ETHOXY-1,1'-BIPHENYL-4-YL)-4-OXOBUTANOIC ACID | | Formula: | C28 H25 N O6 | | SMILES: | O=C(c2ccc(c1ccc(OCC)cc1)cc2)CC(C(=O)O)CCN4C(=O)c3ccccc3C4=O | | InChi: | InChI=1S/C28H25NO6/c1-2-35-22-13-11-19(12-14-22)18-7-9-20(10-8-18)25(30)17-21(28(33)34)15-16-29-26(31)23-5-3-4-6-24(23)27(29)32/h3-14,21H,2,15-17H2,1H3,(H,33,34)/t21-/m0/s1 | | Definition date: | 2003-12-08 | | Last modified: | 2011-06-04 | | Identifier: | (2S)-2-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl]-4-(4'-ethoxybiphenyl-4-yl)-4-oxobutanoic acid |
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 | | ZK5 | | Name: | 9ALPHA-FLUOROCORTISOL | | Formula: | C21 H29 F O5 | | SMILES: | O=C(CO)C3(O)C2(CC(O)C4(F)C1(C(=CC(=O)CC1)CCC4C2CC3)C)C | | InChi: | InChI=1S/C21H29FO5/c1-18-7-5-13(24)9-12(18)3-4-15-14-6-8-20(27,17(26)11-23)19(14,2)10-16(25)21(15,18)22/h9,14-16,23,25,27H,3-8,10-11H2,1-2H3/t14-,15-,16-,18-,19-,20-,21-/m0/s1 | | Definition date: | 2001-12-27 | | Last modified: | 2011-06-04 | | Identifier: | (11alpha)-9-fluoro-11,17,21-trihydroxypregn-4-ene-3,20-dione |
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 | | DES | | Name: | DIETHYLSTILBESTROL | | Formula: | C18 H20 O2 | | SMILES: | Oc2ccc(/C(=C(/c1ccc(O)cc1)CC)CC)cc2 | | InChi: | InChI=1S/C18H20O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,19-20H,3-4H2,1-2H3/b18-17+ | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | 4,4'-(3E)-hex-3-ene-3,4-diyldiphenol |
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 | | DET | | Name: | UNDECYLAMINE-N,N-DIMETHYL-N-OXIDE | | Formula: | C13 H29 N O | | SMILES: | [O-][N+](CCCCCCCCCCC)(C)C | | InChi: | InChI=1S/C13H29NO/c1-4-5-6-7-8-9-10-11-12-13-14(2,3)15/h4-13H2,1-3H3 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | dimethyl(undecyl)amine oxide |
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 | | ZKD | | Name: | URIDINE-DIPHOSPHATE-1-DEOXY-1-THIO-N-ACETYLGLUCOSAMINE | | Formula: | C17 H27 N3 O16 P2 S | | SMILES: | O=P(SC1OC(C(O)C(O)C1NC(=O)C)CO)(O)OP(=O)(O)OCC3OC(N2C=CC(=O)NC2=O)C(O)C3O | | InChi: | InChI=1S/C17H27N3O16P2S/c1-6(22)18-10-13(26)11(24)7(4-21)35-16(10)39-38(31,32)36-37(29,30)33-5-8-12(25)14(27)15(34-8)20-3-2-9(23)19-17(20)28/h2-3,7-8,10-16,21,24-27H,4-5H2,1H3,(H,18,22)(H,29,30)(H,31,32)(H,19,23,28)/t7-,8-,10+,11-,12-,13-,14-,15-,16-/m1/s1 | | Definition date: | 2010-06-07 | | Last modified: | 2011-06-04 | | Identifier: | S-[(2R,3S,4R,5S,6R)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl] O-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl} dihydrogen thiodiphosphate (non-preferred name) |
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 | | DF1 | | Name: | (2R)-1-[(5,6-DIPHENYL-7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)AMINO]PROPAN-2-OL | | Formula: | C21 H20 N4 O | | SMILES: | n1c3c(c(nc1)NCC(O)C)c(c(c2ccccc2)n3)c4ccccc4 | | InChi: | InChI=1S/C21H20N4O/c1-14(26)12-22-20-18-17(15-8-4-2-5-9-15)19(16-10-6-3-7-11-16)25-21(18)24-13-23-20/h2-11,13-14,26H,12H2,1H3,(H2,22,23,24,25)/t14-/m1/s1 | | Definition date: | 2005-05-09 | | Last modified: | 2011-06-04 | | Identifier: | (2R)-1-[(5,6-diphenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-2-ol |
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 | | DF2 | | Name: | (2R)-3-{[(4Z)-5,6-DIPHENYL-6,7-DIHYDRO-4H-PYRROLO[2,3-D]PYRIMIDIN-4-YLIDENE]AMINO}PROPANE-1,2-DIOL | | Formula: | C21 H20 N4 O2 | | SMILES: | n1c3c(c(nc1)NCC(O)CO)c(c(c2ccccc2)n3)c4ccccc4 | | InChi: | InChI=1S/C21H20N4O2/c26-12-16(27)11-22-20-18-17(14-7-3-1-4-8-14)19(15-9-5-2-6-10-15)25-21(18)24-13-23-20/h1-10,13,16,26-27H,11-12H2,(H2,22,23,24,25)/t16-/m1/s1 | | Definition date: | 2005-05-09 | | Last modified: | 2011-06-04 | | Identifier: | (2R)-3-[(5,6-diphenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propane-1,2-diol |
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 | | DF3 | | Name: | N-[2-(3-{[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]sulfanyl}-1H-indol-1-yl)ethyl]-3-(trifluoromethyl)benzamide | | Formula: | C28 H24 F3 N3 O4 S | | SMILES: | FC(F)(F)c1cccc(c1)C(=O)NCCn5c2ccccc2c(SCC(=O)Nc3ccc4OCCOc4c3)c5 | | InChi: | InChI=1S/C28H24F3N3O4S/c29-28(30,31)19-5-3-4-18(14-19)27(36)32-10-11-34-16-25(21-6-1-2-7-22(21)34)39-17-26(35)33-20-8-9-23-24(15-20)38-13-12-37-23/h1-9,14-16H,10-13,17H2,(H,32,36)(H,33,35) | | Definition date: | 2009-09-04 | | Last modified: | 2011-06-04 | | Identifier: | N-[2-(3-{[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]sulfanyl}-1H-indol-1-yl)ethyl]-3-(trifluoromethyl)benzamide |
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 | | DF9 | | Name: | (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[(benzylsulfanyl)methyl]pyrrolidin-3-ol | | Formula: | C19 H23 N5 O S | | SMILES: | S(Cc1ccccc1)CC4CN(Cc3cnc2c3ncnc2N)CC4O | | InChi: | InChI=1S/C19H23N5OS/c20-19-18-17(22-12-23-19)14(6-21-18)7-24-8-15(16(25)9-24)11-26-10-13-4-2-1-3-5-13/h1-6,12,15-16,21,25H,7-11H2,(H2,20,22,23)/t15-,16+/m1/s1 | | Definition date: | 2008-06-12 | | Last modified: | 2011-06-04 | | Identifier: | (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[(benzylsulfanyl)methyl]pyrrolidin-3-ol |
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 | | DFA | | Name: | DIPHENYLACETIC ACID | | Formula: | C14 H12 O2 | | SMILES: | O=C(O)C(c1ccccc1)c2ccccc2 | | InChi: | InChI=1S/C14H12O2/c15-14(16)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H,(H,15,16) | | Definition date: | 2001-09-25 | | Last modified: | 2011-06-04 | | Identifier: | diphenylacetic acid |
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