 | | D09 | | Name: | 5-[(1E)-2-(2-methoxyphenyl)prop-1-en-1-yl]furo[2,3-d]pyrimidine-2,4-diamine | | Formula: | C16 H16 N4 O2 | | SMILES: | n1c(c2c(nc1N)occ2C=C(c3ccccc3OC)C)N | | InChi: | InChI=1S/C16H16N4O2/c1-9(11-5-3-4-6-12(11)21-2)7-10-8-22-15-13(10)14(17)19-16(18)20-15/h3-8H,1-2H3,(H4,17,18,19,20)/b9-7+ | | Definition date: | 2008-08-08 | | Last modified: | 2011-06-04 | | Identifier: | 5-[(1E)-2-(2-methoxyphenyl)prop-1-en-1-yl]furo[2,3-d]pyrimidine-2,4-diamine |
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 | | D27 | | Name: | 2-{[(2E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino}benzoic acid | | Formula: | C18 H17 N O5 | | SMILES: | O=C(O)c1ccccc1NC(=O)C=Cc2cc(OC)c(OC)cc2 | | InChi: | InChI=1S/C18H17NO5/c1-23-15-9-7-12(11-16(15)24-2)8-10-17(20)19-14-6-4-3-5-13(14)18(21)22/h3-11H,1-2H3,(H,19,20)(H,21,22)/b10-8+ | | Definition date: | 2007-09-28 | | Last modified: | 2011-06-04 | | Identifier: | 2-{[(2E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino}benzoic acid |
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 | | D2D | | Name: | 5-[(1E)-2-(2-methoxyphenyl)-4-methylpent-1-en-1-yl]furo[2,3-d]pyrimidine-2,4-diamine | | Formula: | C19 H22 N4 O2 | | SMILES: | n1c(c2c(nc1N)occ2C=C(c3ccccc3OC)CC(C)C)N | | InChi: | InChI=1S/C19H22N4O2/c1-11(2)8-12(14-6-4-5-7-15(14)24-3)9-13-10-25-18-16(13)17(20)22-19(21)23-18/h4-7,9-11H,8H2,1-3H3,(H4,20,21,22,23)/b12-9+ | | Definition date: | 2010-07-19 | | Last modified: | 2011-06-04 | | Identifier: | 5-[(1E)-2-(2-methoxyphenyl)-4-methylpent-1-en-1-yl]furo[2,3-d]pyrimidine-2,4-diamine |
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 | | D2E | | Name: | 5-[(E)-2-cyclopropyl-2-(2-methoxyphenyl)ethenyl]furo[2,3-d]pyrimidine-2,4-diamine | | Formula: | C18 H18 N4 O2 | | SMILES: | n1c(c2c(nc1N)occ2C=C(c3ccccc3OC)C4CC4)N | | InChi: | InChI=1S/C18H18N4O2/c1-23-14-5-3-2-4-12(14)13(10-6-7-10)8-11-9-24-17-15(11)16(19)21-18(20)22-17/h2-5,8-10H,6-7H2,1H3,(H4,19,20,21,22)/b13-8+ | | Definition date: | 2010-07-19 | | Last modified: | 2011-06-04 | | Identifier: | 5-[(E)-2-cyclopropyl-2-(2-methoxyphenyl)ethenyl]furo[2,3-d]pyrimidine-2,4-diamine |
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 | | D2F | | Name: | 5-[(1E)-2-(2-methoxyphenyl)hex-1-en-1-yl]furo[2,3-d]pyrimidine-2,4-diamine | | Formula: | C19 H22 N4 O2 | | SMILES: | n1c(c2c(nc1N)occ2C=C(c3ccccc3OC)CCCC)N | | InChi: | InChI=1S/C19H22N4O2/c1-3-4-7-12(14-8-5-6-9-15(14)24-2)10-13-11-25-18-16(13)17(20)22-19(21)23-18/h5-6,8-11H,3-4,7H2,1-2H3,(H4,20,21,22,23)/b12-10+ | | Definition date: | 2010-07-19 | | Last modified: | 2011-06-04 | | Identifier: | 5-[(1E)-2-(2-methoxyphenyl)hex-1-en-1-yl]furo[2,3-d]pyrimidine-2,4-diamine |
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 | | D2H | | Name: | 5-[(1E,3R)-2-(2-methoxyphenyl)-3-methylpent-1-en-1-yl]furo[2,3-d]pyrimidine-2,4-diamine | | Formula: | C19 H22 N4 O2 | | SMILES: | n1c(c2c(nc1N)occ2C=C(c3ccccc3OC)C(C)CC)N | | InChi: | InChI=1S/C19H22N4O2/c1-4-11(2)14(13-7-5-6-8-15(13)24-3)9-12-10-25-18-16(12)17(20)22-19(21)23-18/h5-11H,4H2,1-3H3,(H4,20,21,22,23)/b14-9+/t11-/m1/s1 | | Definition date: | 2010-07-19 | | Last modified: | 2011-06-04 | | Identifier: | 5-[(1E,3R)-2-(2-methoxyphenyl)-3-methylpent-1-en-1-yl]furo[2,3-d]pyrimidine-2,4-diamine |
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 | | DZF | | Name: | 5-DEAZAFOLIC ACID | | Formula: | C20 H20 N6 O6 | | SMILES: | O=C(O)C(NC(=O)c1ccc(cc1)NCc2cnc3NC(=NC(=O)c3c2)N)CCC(=O)O | | InChi: | InChI=1S/C20H20N6O6/c21-20-25-16-13(18(30)26-20)7-10(9-23-16)8-22-12-3-1-11(2-4-12)17(29)24-14(19(31)32)5-6-15(27)28/h1-4,7,9,14,22H,5-6,8H2,(H,24,29)(H,27,28)(H,31,32)(H3,21,23,25,26,30)/t14-/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | N-[(4-{[(2-amino-4-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-6-yl)methyl]amino}phenyl)carbonyl]-L-glutamic acid |
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 | | E2M | | Name: | cis-4-{[2-({4-[(1E)-3-morpholin-4-yl-3-oxoprop-1-en-1-yl]-2,3-bis(trifluoromethyl)phenyl}sulfanyl)phenoxy]methyl}cyclohexanecarboxylic acid | | Formula: | C29 H29 F6 N O5 S | | SMILES: | O=C(C=Cc3ccc(Sc2ccccc2OCC1CCC(C(=O)O)CC1)c(c3C(F)(F)F)C(F)(F)F)N4CCOCC4 | | InChi: | InChI=1S/C29H29F6NO5S/c30-28(31,32)25-19(10-12-24(37)36-13-15-40-16-14-36)9-11-23(26(25)29(33,34)35)42-22-4-2-1-3-21(22)41-17-18-5-7-20(8-6-18)27(38)39/h1-4,9-12,18,20H,5-8,13-17H2,(H,38,39)/b12-10+/t18-,20+ | | Definition date: | 2008-08-07 | | Last modified: | 2011-06-04 | | Identifier: | cis-4-{[2-({4-[(1E)-3-morpholin-4-yl-3-oxoprop-1-en-1-yl]-2,3-bis(trifluoromethyl)phenyl}sulfanyl)phenoxy]methyl}cyclohexanecarboxylic acid |
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 | | E2P | | Name: | PROSTAGLANDIN B2 | | Formula: | C20 H30 O4 | | SMILES: | O=C1C(=C(/C=C/C(O)CCCCC)CC1)CC=C/CCCC(=O)O | | InChi: | InChI=1S/C20H30O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h4,7,12,14,17,21H,2-3,5-6,8-11,13,15H2,1H3,(H,23,24)/b7-4-,14-12+/t17-/m1/s1 | | Definition date: | 2000-09-08 | | Last modified: | 2011-06-04 | | Identifier: | (5Z,13E,15R)-15-hydroxy-9-oxoprosta-5,8(12),13-trien-1-oic acid |
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 | | E | | Name: | N-((-)-(7S,8R,9S,10R)[7,8,9-TRIHYDROXY-7,8,9,10-TETRA HYDROBENZO[A]PYREN-10-YL])-2'-DEOXY-ADENOSINE-5'-MONOPHOSPHATE | | Formula: | C30 H28 N5 O9 P | | SMILES: | O=P(O)(O)OCC8OC(n2cnc1c(ncnc12)NC5c4c7c3c6c(ccc3cc4C(O)C(O)C5O)cccc6cc7)CC8O | | InChi: | InChI=1S/C30H28N5O9P/c36-18-9-20(44-19(18)10-43-45(40,41)42)35-12-33-25-29(31-11-32-30(25)35)34-24-23-16-7-6-14-3-1-2-13-4-5-15(22(16)21(13)14)8-17(23)26(37)28(39)27(24)38/h1-8,11-12,18-20,24,26-28,36-39H,9-10H2,(H,31,32,34)(H2,40,41,42)/t18-,19+,20+,24+,26-,27-,28+/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | 2'-deoxy-N-[(7S,8R,9S,10R)-7,8,9-trihydroxy-7,8,9,10-tetrahydrobenzo[pqr]tetraphen-10-yl]adenosine 5'-(dihydrogen phosphate) |
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 | | EAB | | Name: | (3-{(E)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACID | | Formula: | C15 H15 N3 O2 | | SMILES: | O=C(O)Cc2cccc(/N=N/c1cccc(c1)CN)c2 | | InChi: | InChI=1S/C15H15N3O2/c16-10-12-4-2-6-14(8-12)18-17-13-5-1-3-11(7-13)9-15(19)20/h1-8H,9-10,16H2,(H,19,20)/b18-17+ | | Definition date: | 2006-06-01 | | Last modified: | 2011-06-04 | | Identifier: | (3-{(E)-[3-(aminomethyl)phenyl]diazenyl}phenyl)acetic acid |
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 | | EAP | | Name: | 2-AMINO-VINYL-PHOSPHATE | | Formula: | C2 H6 N O4 P | | SMILES: | O=P(OC=CN)(O)O | | InChi: | InChI=1S/C2H6NO4P/c3-1-2-7-8(4,5)6/h1-2H,3H2,(H2,4,5,6)/b2-1+ | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | (E)-2-aminoethenyl dihydrogen phosphate |
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 | | GAS | | Name: | N-(P-CYANOPHENYL)-N'-DIPHENYLMETHYL-GUANIDINE-ACETIC ACID | | Formula: | C23 H20 N4 O2 | | SMILES: | N#Cc3ccc(N/C(=N/CC(=O)O)NC(c1ccccc1)c2ccccc2)cc3 | | InChi: | InChI=1S/C23H20N4O2/c24-15-17-11-13-20(14-12-17)26-23(25-16-21(28)29)27-22(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-14,22H,16H2,(H,28,29)(H2,25,26,27) | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | (E)-N-{[(4-cyanophenyl)amino][(diphenylmethyl)amino]methylidene}glycine |
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 | | DJT | | Name: | (2S,4R)-4-(2-chlorophenyl)sulfonyl-1-[1-(4-fluorophenyl)cyclopropyl]carbonyl-N-[1-(iminomethyl)cyclopropyl]pyrrolidine-2-carboxamide | | Formula: | C25 H25 Cl F N3 O4 S | | SMILES: | O=S(=O)(c1ccccc1Cl)C5CC(C(=O)NC2(C=[N@H])CC2)N(C(=O)C4(c3ccc(F)cc3)CC4)C5 | | InChi: | InChI=1S/C25H25ClFN3O4S/c26-19-3-1-2-4-21(19)35(33,34)18-13-20(22(31)29-24(15-28)9-10-24)30(14-18)23(32)25(11-12-25)16-5-7-17(27)8-6-16/h1-8,15,18,20,28H,9-14H2,(H,29,31)/b28-15+/t18-,20+/m1/s1 | | Definition date: | 2010-10-15 | | Last modified: | 2011-06-04 | | Identifier: | (4R)-4-[(2-chlorophenyl)sulfonyl]-1-{[1-(4-fluorophenyl)cyclopropyl]carbonyl}-N-{1-[(E)-iminomethyl]cyclopropyl}-L-prolinamide |
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 | | DLN | | Name: | 3-{[4-amino-1-(1-methylethyl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]ethynyl}phenol | | Formula: | C16 H15 N5 O | | SMILES: | n1c(c3c(nc1)n(nc3C#Cc2cccc(O)c2)C(C)C)N | | InChi: | InChI=1S/C16H15N5O/c1-10(2)21-16-14(15(17)18-9-19-16)13(20-21)7-6-11-4-3-5-12(22)8-11/h3-5,8-10,22H,1-2H3,(H2,17,18,19) | | Definition date: | 2009-11-09 | | Last modified: | 2011-06-04 | | Identifier: | 3-{[4-amino-1-(1-methylethyl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]ethynyl}phenol |
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 | | DMB | | Name: | 2-((3',5'-DIMETHYL-4'-HYDROXYPHENYL)AZO)BENZOIC ACID | | Formula: | C15 H14 N2 O3 | | SMILES: | O=C(O)c2ccccc2/N=N/c1cc(c(O)c(c1)C)C | | InChi: | InChI=1S/C15H14N2O3/c1-9-7-11(8-10(2)14(9)18)16-17-13-6-4-3-5-12(13)15(19)20/h3-8,18H,1-2H3,(H,19,20)/b17-16+ | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | 2-[(E)-(4-hydroxy-3,5-dimethylphenyl)diazenyl]benzoic acid |
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 | | DRL | | Name: | 2-methyl-3,5,7,8-tetrahydro-4H-thiopyrano[4,3-d]pyrimidin-4-one | | Formula: | C8 H10 N2 O S | | SMILES: | O=C1C2=C(N=C(N1)C)CCSC2 | | InChi: | InChI=1S/C8H10N2OS/c1-5-9-7-2-3-12-4-6(7)8(11)10-5/h2-4H2,1H3,(H,9,10,11) | | Definition date: | 2008-01-31 | | Last modified: | 2011-06-04 | | Identifier: | 2-methyl-3,5,7,8-tetrahydro-4H-thiopyrano[4,3-d]pyrimidin-4-one |
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 | | DTM | | Name: | 2,4-DIAMINO-6-[N-(3',4',5'-TRIMETHOXYBENZYL)-N-METHYLAMINO]PYRIDO[2,3-D]PYRIMIDINE | | Formula: | C18 H22 N6 O3 | | SMILES: | n1cc(cc2c1nc(nc2N)N)N(Cc3cc(OC)c(OC)c(OC)c3)C | | InChi: | InChI=1S/C18H22N6O3/c1-24(9-10-5-13(25-2)15(27-4)14(6-10)26-3)11-7-12-16(19)22-18(20)23-17(12)21-8-11/h5-8H,9H2,1-4H3,(H4,19,20,21,22,23) | | Definition date: | 2002-09-29 | | Last modified: | 2011-06-04 | | Identifier: | N~6~-methyl-N~6~-(3,4,5-trimethoxybenzyl)pyrido[2,3-d]pyrimidine-2,4,6-triamine |
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 | | DX6 | | Name: | 2-amino-5-(2-phenylethyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one | | Formula: | C14 H14 N4 O | | SMILES: | O=C1c2c(cnc2N=C(N1)N)CCc3ccccc3 | | InChi: | InChI=1S/C14H14N4O/c15-14-17-12-11(13(19)18-14)10(8-16-12)7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H4,15,16,17,18,19) | | Definition date: | 2007-12-17 | | Last modified: | 2011-06-04 | | Identifier: | 2-amino-5-(2-phenylethyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one |
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 | | GD9 | | Name: | 2-(1H-indazol-4-yl)-6-{[4-(methylsulfonyl)piperazin-1-yl]methyl}-4-morpholin-4-yl-thieno[3,2-d]pyrimidine | | Formula: | C23 H27 N7 O3 S2 | | SMILES: | O=S(=O)(N1CCN(CC1)Cc3sc2c(nc(nc2c3)c5cccc4nncc45)N6CCOCC6)C | | InChi: | InChI=1S/C23H27N7O3S2/c1-35(31,32)30-7-5-28(6-8-30)15-16-13-20-21(34-16)23(29-9-11-33-12-10-29)26-22(25-20)17-3-2-4-19-18(17)14-24-27-19/h2-4,13-14H,5-12,15H2,1H3,(H,24,27) | | Definition date: | 2008-06-03 | | Last modified: | 2011-06-04 | | Identifier: | 2-(1H-indazol-4-yl)-6-{[4-(methylsulfonyl)piperazin-1-yl]methyl}-4-morpholin-4-ylthieno[3,2-d]pyrimidine |
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 | | GEG | | Name: | (4E)-4-AMINOHEX-4-ENOIC ACID | | Formula: | C6 H11 N O2 | | SMILES: | O=C(O)CCC(=C/C)N | | InChi: | InChI=1S/C6H11NO2/c1-2-5(7)3-4-6(8)9/h2H,3-4,7H2,1H3,(H,8,9)/b5-2+ | | Definition date: | 2003-06-03 | | Last modified: | 2011-06-04 | | Identifier: | (4E)-4-aminohex-4-enoic acid |
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 | | GPB | | Name: | N-[4-[2-(2-AMINO-4-METHYL-7H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-ETHYL]-BENZOYL]GLUTAMIC ACID | | Formula: | C21 H23 N5 O5 | | SMILES: | O=C(O)C(NC(=O)c1ccc(cc1)CCc3c2c(nc(nc2nc3)N)C)CCC(=O)O | | InChi: | InChI=1S/C21H23N5O5/c1-11-17-14(10-23-18(17)26-21(22)24-11)7-4-12-2-5-13(6-3-12)19(29)25-15(20(30)31)8-9-16(27)28/h2-3,5-6,10,15H,4,7-9H2,1H3,(H,25,29)(H,27,28)(H,30,31)(H3,22,23,24,26)/t15-/m0/s1 | | Definition date: | 2000-05-18 | | Last modified: | 2011-06-04 | | Identifier: | N-({4-[2-(2-amino-4-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]phenyl}carbonyl)-L-glutamic acid |
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 | | GQL | | Name: | (E)-[4-(3,5-difluorophenyl)-3H-pyrrolo[2,3-b]pyridin-3-ylidene](3-methoxyphenyl)methanol | | Formula: | C21 H14 F2 N2 O2 | | SMILES: | Fc4cc(c1ccnc2N=CC(c12)=C(O)c3cccc(OC)c3)cc(F)c4 | | InChi: | InChI=1S/C21H14F2N2O2/c1-27-16-4-2-3-12(9-16)20(26)18-11-25-21-19(18)17(5-6-24-21)13-7-14(22)10-15(23)8-13/h2-11,26H,1H3/b20-18- | | Definition date: | 2009-05-27 | | Last modified: | 2011-06-04 | | Identifier: | (E)-[4-(3,5-difluorophenyl)-3H-pyrrolo[2,3-b]pyridin-3-ylidene](3-methoxyphenyl)methanol |
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 | | 8PA | | Name: | 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-2-[(1S,2E)-1-hydroxy-3-pyridin-3-ylprop-2-en-1-yl]-4-methyl-1,3-thiazol-3-ium | | Formula: | C20 H26 N5 O8 P2 S | | SMILES: | O=P(O)(O)OP(=O)(O)OCCc1sc([n+](c1C)Cc2cnc(nc2N)C)C(O)C=Cc3cccnc3 | | InChi: | InChI=1S/C20H25N5O8P2S/c1-13-18(7-9-32-35(30,31)33-34(27,28)29)36-20(17(26)6-5-15-4-3-8-22-10-15)25(13)12-16-11-23-14(2)24-19(16)21/h3-6,8,10-11,17,26H,7,9,12H2,1-2H3,(H4-,21,23,24,27,28,29,30,31)/p+1/b6-5+/t17-/m0/s1 | | Definition date: | 2008-11-07 | | Last modified: | 2011-06-04 | | Identifier: | 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-2-[(1S,2E)-1-hydroxy-3-pyridin-3-ylprop-2-en-1-yl]-4-methyl-1,3-thiazol-3-ium |
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 | | GS2 | | Name: | 2-[(2-{[1-(N,N-dimethylglycyl)-5-methoxy-1H-indol-6-yl]amino}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-6-fluoro-N-methylbenzamide | | Formula: | C27 H27 F N8 O3 | | SMILES: | O=C(n2c1cc(c(OC)cc1cc2)Nc3nc5c(c(n3)Nc4cccc(F)c4C(=O)NC)ccn5)CN(C)C | | InChi: | InChI=1S/C27H27FN8O3/c1-29-26(38)23-17(28)6-5-7-18(23)31-25-16-8-10-30-24(16)33-27(34-25)32-19-13-20-15(12-21(19)39-4)9-11-36(20)22(37)14-35(2)3/h5-13H,14H2,1-4H3,(H,29,38)(H3,30,31,32,33,34) | | Definition date: | 2008-09-24 | | Last modified: | 2011-06-04 | | Identifier: | 2-[(2-{[1-(N,N-dimethylglycyl)-5-methoxy-1H-indol-6-yl]amino}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-6-fluoro-N-methylbenzamide |
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