 | | 697 | | Name: | 5-HYDROXY-2-(4-HYDROXYPHENYL)-1-BENZOFURAN-7-CARBONITRILE | | Formula: | C15 H9 N O3 | | SMILES: | N#Cc3cc(O)cc1c3oc(c1)c2ccc(O)cc2 | | InChi: | InChI=1S/C15H9NO3/c16-8-11-6-13(18)5-10-7-14(19-15(10)11)9-1-3-12(17)4-2-9/h1-7,17-18H | | Definition date: | 2004-08-17 | | Last modified: | 2011-06-04 | | Identifier: | 5-hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-7-carbonitrile |
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 | | 698 | | Name: | (2S,4S,5R)-1-(4-TERT-BUTYLBENZOYL)-2-ISOBUTYL-5-(1,3-THIAZOL-2-YL)PYRROLIDINE-2,4-DICARBOXYLIC ACID | | Formula: | C24 H30 N2 O5 S | | SMILES: | O=C(O)C3CC(N(C(=O)c1ccc(cc1)C(C)(C)C)C3c2nccs2)(C(=O)O)CC(C)C | | InChi: | InChI=1S/C24H30N2O5S/c1-14(2)12-24(22(30)31)13-17(21(28)29)18(19-25-10-11-32-19)26(24)20(27)15-6-8-16(9-7-15)23(3,4)5/h6-11,14,17-18H,12-13H2,1-5H3,(H,28,29)(H,30,31)/t17-,18+,24-/m0/s1 | | Definition date: | 2006-12-18 | | Last modified: | 2011-06-04 | | Identifier: | (2S,4S,5R)-1-[(4-tert-butylphenyl)carbonyl]-2-(2-methylpropyl)-5-(1,3-thiazol-2-yl)pyrrolidine-2,4-dicarboxylic acid |
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 | | 699 | | Name: | (2S,4S,5R)-2-ISOBUTYL-5-(2-THIENYL)-1-[4-(TRIFLUOROMETHYL)BENZOYL]PYRROLIDINE-2,4-DICARBOXYLIC ACID | | Formula: | C22 H22 F3 N O5 S | | SMILES: | FC(F)(F)c1ccc(cc1)C(=O)N2C(C(=O)O)(CC(C(=O)O)C2c3sccc3)CC(C)C | | InChi: | InChI=1S/C22H22F3NO5S/c1-12(2)10-21(20(30)31)11-15(19(28)29)17(16-4-3-9-32-16)26(21)18(27)13-5-7-14(8-6-13)22(23,24)25/h3-9,12,15,17H,10-11H2,1-2H3,(H,28,29)(H,30,31)/t15-,17+,21-/m0/s1 | | Definition date: | 2006-12-18 | | Last modified: | 2011-06-04 | | Identifier: | (2S,4S,5R)-2-(2-methylpropyl)-5-thiophen-2-yl-1-{[4-(trifluoromethyl)phenyl]carbonyl}pyrrolidine-2,4-dicarboxylic acid |
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 | | PSB | | Name: | 3-(5-AMINO-7-HYDROXY-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDIN-2-YL)-N-[2-(2-(HYDROXYMETHYL-PHENYLSULFANYL)-BENZYL]-BENZAMIDE | | Formula: | C25 H21 N7 O3 S | | SMILES: | O=C(NCc2ccccc2Sc1ccccc1CO)c3cc(ccc3)n4nc5nc(nc(O)c5n4)N | | InChi: | InChI=1S/C25H21N7O3S/c26-25-28-22-21(24(35)29-25)30-32(31-22)18-9-5-8-15(12-18)23(34)27-13-16-6-1-3-10-19(16)36-20-11-4-2-7-17(20)14-33/h1-12,33H,13-14H2,(H,27,34)(H3,26,28,29,31,35) | | Definition date: | 2003-12-22 | | Last modified: | 2011-06-04 | | Identifier: | 3-(5-amino-7-hydroxy-2H-[1,2,3]triazolo[4,5-d]pyrimidin-2-yl)-N-(2-{[2-(hydroxymethyl)phenyl]sulfanyl}benzyl)benzamide |
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 | | PST | | Name: | THYMIDINE-5'-THIOPHOSPHATE | | Formula: | C10 H15 N2 O7 P S | | SMILES: | O=C1NC(=O)N(C=C1C)C2OC(C(O)C2)COP(=S)(O)O | | InChi: | InChI=1S/C10H15N2O7PS/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(19-8)4-18-20(16,17)21/h3,6-8,13H,2,4H2,1H3,(H,11,14,15)(H2,16,17,21)/t6-,7+,8+/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | 5'-O-thiophosphonothymidine |
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 | | PSU | | Name: | PSEUDOURIDINE-5'-MONOPHOSPHATE | | Formula: | C9 H13 N2 O9 P | | SMILES: | O=P(OCC2OC(C1=CNC(=O)NC1=O)C(O)C2O)(O)O | | InChi: | InChI=1S/C9H13N2O9P/c12-5-4(2-19-21(16,17)18)20-7(6(5)13)3-1-10-9(15)11-8(3)14/h1,4-7,12-13H,2H2,(H2,16,17,18)(H2,10,11,14,15)/t4-,5-,6-,7+/m1/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | (1S)-1,4-anhydro-1-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-5-O-phosphono-D-ribitol |
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 | | PSY | | Name: | phenyl ethenesulfonate | | Formula: | C8 H8 O3 S | | SMILES: | O=S(=O)(Oc1ccccc1)C=C | | InChi: | InChI=1S/C8H8O3S/c1-2-12(9,10)11-8-6-4-3-5-7-8/h2-7H,1H2 | | Definition date: | 2007-12-14 | | Last modified: | 2011-06-04 | | Identifier: | phenyl ethenesulfonate |
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 | | PT1 | | Name: | PTEROIC ACID | | Formula: | C14 H12 N6 O3 | | SMILES: | O=C(O)c1ccc(cc1)NCc2nc3c(nc2)nc(nc3O)N | | InChi: | InChI=1S/C14H12N6O3/c15-14-19-11-10(12(21)20-14)18-9(6-17-11)5-16-8-3-1-7(2-4-8)13(22)23/h1-4,6,16H,5H2,(H,22,23)(H3,15,17,19,20,21) | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | 4-{[(2-amino-4-hydroxypteridin-6-yl)methyl]amino}benzoic acid |
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 | | PT2 | | Name: | [ethane-1,2-diaminato(2-)-kappa~2~N,N'](1,10-phenanthroline-kappa~2~N~1~,N~10~)platinum(2+) | | Formula: | C14 H14 N4 Pt | | SMILES: | c2cc[n+]4c3c1[n+](cccc1ccc23)[Pt]45NCCN5 | | InChi: | InChI=1S/C12H8N2.C2H6N2.Pt/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | [ethane-1,2-diaminato(2-)-kappa~2~N,N'](1,10-phenanthroline-kappa~2~N~1~,N~10~)platinum(2+) |
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 | | PTI | | Name: | 2-PHENYL-1-[4-(2-PIPERIDIN-1-YL-ETHOXY)-PHENYL]-1,2,3,4-TETRAHYDRO-ISOQUINOLIN-6-OL | | Formula: | C28 H32 N2 O2 | | SMILES: | O(c1ccc(cc1)C4c2ccc(O)cc2CCN4c3ccccc3)CCN5CCCCC5 | | InChi: | InChI=1S/C28H32N2O2/c31-25-11-14-27-23(21-25)15-18-30(24-7-3-1-4-8-24)28(27)22-9-12-26(13-10-22)32-20-19-29-16-5-2-6-17-29/h1,3-4,7-14,21,28,31H,2,5-6,15-20H2/t28-/m1/s1 | | Definition date: | 2003-04-11 | | Last modified: | 2011-06-04 | | Identifier: | (1R)-2-phenyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]-1,2,3,4-tetrahydroisoquinolin-6-ol |
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 | | PTL | | Name: | PENTANAL | | Formula: | C5 H10 O | | SMILES: | O=CCCCC | | InChi: | InChI=1S/C5H10O/c1-2-3-4-5-6/h5H,2-4H2,1H3 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | pentanal |
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 | | 6AU | | Name: | 6-acetyluridine 5'-phosphate | | Formula: | C11 H15 N2 O10 P | | SMILES: | O=C(C=1N(C(=O)NC(=O)C=1)C2OC(C(O)C2O)COP(=O)(O)O)C | | InChi: | InChI=1S/C11H15N2O10P/c1-4(14)5-2-7(15)12-11(18)13(5)10-9(17)8(16)6(23-10)3-22-24(19,20)21/h2,6,8-10,16-17H,3H2,1H3,(H,12,15,18)(H2,19,20,21)/t6-,8-,9-,10-/m1/s1 | | Definition date: | 2008-10-23 | | Last modified: | 2011-06-04 | | Identifier: | 6-acetyluridine 5'-(dihydrogen phosphate) |
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 | | PTO | | Name: | PSEUDOTROPINE | | Formula: | C8 H15 N O | | SMILES: | OC2CC1N(C)C(CC1)C2 | | InChi: | InChI=1S/C8H15NO/c1-9-6-2-3-7(9)5-8(10)4-6/h6-8,10H,2-5H2,1H3/t6-,7+,8- | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | (3-exo)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol |
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 | | PU | | Name: | PUROMYCIN-N-AMINOPHOSPHONIC ACID | | Formula: | C22 H30 N7 O8 P | | SMILES: | O=P(O)(O)NC(C(=O)NC3C(OC(n2cnc1c2ncnc1N(C)C)C3O)CO)Cc4ccc(OC)cc4 | | InChi: | InChI=1S/C22H30N7O8P/c1-28(2)19-17-20(24-10-23-19)29(11-25-17)22-18(31)16(15(9-30)37-22)26-21(32)14(27-38(33,34)35)8-12-4-6-13(36-3)7-5-12/h4-7,10-11,14-16,18,22,30-31H,8-9H2,1-3H3,(H,26,32)(H3,27,33,34,35)/t14-,15+,16+,18+,22+/m0/s1 | | Definition date: | 2000-08-02 | | Last modified: | 2011-06-04 | | Identifier: | 3'-deoxy-N,N-dimethyl-3'-[(O-methyl-N-phosphono-L-tyrosyl)amino]adenosine |
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 | | PU1 | | Name: | 8-(2-CHLORO-3,4,5-TRIMETHOXY-BENZYL)-2-FLUORO-9-PENT-4-YLNYL-9H-PURIN-6-YLAMINE | | Formula: | C20 H21 Cl F N5 O3 | | SMILES: | Clc1c(OC)c(OC)c(OC)cc1Cc3nc2c(nc(F)nc2n3CCCC#C)N | | InChi: | InChI=1S/C20H21ClFN5O3/c1-5-6-7-8-27-13(24-15-18(23)25-20(22)26-19(15)27)10-11-9-12(28-2)16(29-3)17(30-4)14(11)21/h1,9H,6-8,10H2,2-4H3,(H2,23,25,26) | | Definition date: | 2004-03-02 | | Last modified: | 2011-06-04 | | Identifier: | 8-(2-chloro-3,4,5-trimethoxybenzyl)-2-fluoro-9-pent-4-yn-1-yl-9H-purin-6-amine |
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 | | PU2 | | Name: | 8-(2,5-DIMETHOXY-BENZYL)-2-FLUORO-9H-PURIN-6-YLAMINE | | Formula: | C14 H14 F N5 O2 | | SMILES: | Fc2nc1nc(nc1c(n2)N)Cc3cc(OC)ccc3OC | | InChi: | InChI=1S/C14H14FN5O2/c1-21-8-3-4-9(22-2)7(5-8)6-10-17-11-12(16)19-14(15)20-13(11)18-10/h3-5H,6H2,1-2H3,(H3,16,17,18,19,20) | | Definition date: | 2004-03-02 | | Last modified: | 2011-06-04 | | Identifier: | 8-(2,5-dimethoxybenzyl)-2-fluoro-7H-purin-6-amine |
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 | | PU5 | | Name: | 9-BUTYL-8-(3-METHOXYBENZYL)-9H-PURIN-6-AMINE | | Formula: | C17 H21 N5 O | | SMILES: | n1c(c2nc(n(c2nc1)CCCC)Cc3cccc(OC)c3)N | | InChi: | InChI=1S/C17H21N5O/c1-3-4-8-22-14(10-12-6-5-7-13(9-12)23-2)21-15-16(18)19-11-20-17(15)22/h5-7,9,11H,3-4,8,10H2,1-2H3,(H2,18,19,20) | | Definition date: | 2004-03-02 | | Last modified: | 2011-06-04 | | Identifier: | 9-butyl-8-(3-methoxybenzyl)-9H-purin-6-amine |
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 | | PU9 | | Name: | 8-(2-CHLORO-3,4,5-TRIMETHOXY-BENZYL)-9-PENT-4-YLNYL-9H-PURIN-6-YLAMINE | | Formula: | C20 H22 Cl N5 O3 | | SMILES: | Clc1c(OC)c(OC)c(OC)cc1Cc3nc2c(ncnc2n3CCCC#C)N | | InChi: | InChI=1S/C20H22ClN5O3/c1-5-6-7-8-26-14(25-16-19(22)23-11-24-20(16)26)10-12-9-13(27-2)17(28-3)18(29-4)15(12)21/h1,9,11H,6-8,10H2,2-4H3,(H2,22,23,24) | | Definition date: | 2004-03-02 | | Last modified: | 2011-06-04 | | Identifier: | 8-(2-chloro-3,4,5-trimethoxybenzyl)-9-pent-4-yn-1-yl-9H-purin-6-amine |
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 | | PUG | | Name: | 3-(1,3,7-TRIHYDRO-9-D-RIBITYL-2,6,8-PURINETRIONE-7-YL) | | Formula: | C10 H14 N4 O7 | | SMILES: | O=C1C2=C(NC(=O)N1)N(C(=O)N2)CC(O)C(O)C(O)CO | | InChi: | InChI=1S/C10H14N4O7/c15-2-4(17)6(18)3(16)1-14-7-5(11-10(14)21)8(19)13-9(20)12-7/h3-4,6,15-18H,1-2H2,(H,11,21)(H2,12,13,19,20)/t3-,4-,6+/m1/s1 | | Definition date: | 2005-12-09 | | Last modified: | 2011-06-04 | | Identifier: | 1-deoxy-1-(2,6,8-trioxo-1,2,3,6,7,8-hexahydro-9H-purin-9-yl)-D-arabinitol |
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 | | PUR | | Name: | PURINE RIBOSIDE | | Formula: | C10 H13 N4 O4 | | SMILES: | OCC3OC(n2c[nH+]c1cncnc12)C(O)C3O | | InChi: | InChI=1S/C10H12N4O4/c15-2-6-7(16)8(17)10(18-6)14-4-13-5-1-11-3-12-9(5)14/h1,3-4,6-8,10,15-17H,2H2/p+1/t6-,7-,8-,10-/m1/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | 9-beta-D-ribofuranosyl-9H-purin-7-ium |
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 | | PUY | | Name: | PUROMYCIN | | Formula: | C22 H29 N7 O5 | | SMILES: | O=C(NC3C(OC(n2cnc1c2ncnc1N(C)C)C3O)CO)C(N)Cc4ccc(OC)cc4 | | InChi: | InChI=1S/C22H29N7O5/c1-28(2)19-17-20(25-10-24-19)29(11-26-17)22-18(31)16(15(9-30)34-22)27-21(32)14(23)8-12-4-6-13(33-3)7-5-12/h4-7,10-11,14-16,18,22,30-31H,8-9,23H2,1-3H3,(H,27,32)/t14-,15+,16+,18+,22+/m0/s1 | | Definition date: | 2003-08-25 | | Last modified: | 2011-06-04 | | Identifier: | 3'-deoxy-N,N-dimethyl-3'-[(O-methyl-L-tyrosyl)amino]adenosine |
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 | | PUZ | | Name: | 8-(2,5-DIMETHOXY-BENZYL)-2-FLUORO-9-PENT-9H-PURIN-6-YLAMINE | | Formula: | C19 H20 F N5 O2 | | SMILES: | Fc1nc(c2nc(n(c2n1)CCCC#C)Cc3cc(OC)ccc3OC)N | | InChi: | InChI=1S/C19H20FN5O2/c1-4-5-6-9-25-15(22-16-17(21)23-19(20)24-18(16)25)11-12-10-13(26-2)7-8-14(12)27-3/h1,7-8,10H,5-6,9,11H2,2-3H3,(H2,21,23,24) | | Definition date: | 2004-03-02 | | Last modified: | 2011-06-04 | | Identifier: | 8-(2,5-dimethoxybenzyl)-2-fluoro-9-pent-4-yn-1-yl-9H-purin-6-amine |
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 | | 6CN | | Name: | 6-cyanouridine 5'-phosphate | | Formula: | C10 H12 N3 O9 P | | SMILES: | N#CC=1N(C(=O)NC(=O)C=1)C2OC(C(O)C2O)COP(=O)(O)O | | InChi: | InChI=1S/C10H12N3O9P/c11-2-4-1-6(14)12-10(17)13(4)9-8(16)7(15)5(22-9)3-21-23(18,19)20/h1,5,7-9,15-16H,3H2,(H,12,14,17)(H2,18,19,20)/t5-,7-,8-,9-/m1/s1 | | Definition date: | 2008-10-23 | | Last modified: | 2011-06-04 | | Identifier: | 6-cyanouridine 5'-(dihydrogen phosphate) |
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 | | 6EA | | Name: | (1S)-1-(1H-INDOL-3-YLMETHYL)-2-(2-PYRIDIN-4-YL-[1,7]NAPHTYRIDIN-5-YLOXY)-EHYLAMINE | | Formula: | C24 H21 N5 O | | SMILES: | n1ccc(cc1)c2nc5c(cc2)c(OCC(N)Cc4c3ccccc3nc4)cnc5 | | InChi: | InChI=1S/C24H21N5O/c25-18(11-17-12-28-22-4-2-1-3-19(17)22)15-30-24-14-27-13-23-20(24)5-6-21(29-23)16-7-9-26-10-8-16/h1-10,12-14,18,28H,11,15,25H2/t18-/m0/s1 | | Definition date: | 2005-12-23 | | Last modified: | 2011-06-04 | | Identifier: | (2S)-1-(1H-indol-3-yl)-3-[(2-pyridin-4-yl-1,7-naphthyridin-5-yl)oxy]propan-2-amine |
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 | | PX2 | | Name: | 1,2-DILAUROYL-SN-GLYCERO-3-PHOSPHATE | | Formula: | C27 H52 O8 P | | SMILES: | O=P([O-])(O)OCC(OC(=O)CCCCCCCCCCC)COC(=O)CCCCCCCCCCC | | InChi: | InChI=1S/C27H53O8P/c1-3-5-7-9-11-13-15-17-19-21-26(28)33-23-25(24-34-36(30,31)32)35-27(29)22-20-18-16-14-12-10-8-6-4-2/h25H,3-24H2,1-2H3,(H2,30,31,32)/p-1/t25-/m1/s1 | | Definition date: | 2004-08-02 | | Last modified: | 2011-06-04 | | Identifier: | (2R)-2,3-bis(dodecanoyloxy)propyl hydrogen phosphate |
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