 | | UBB | | Name: | 2',3'-DIDEOXY-URIDINE-5'-MONOPHOSPHATE | | Formula: | C9 H13 N2 O7 P | | SMILES: | O=C1NC(=O)N(C=C1)C2OC(CC2)COP(=O)(O)O | | InChi: | InChI=1S/C9H13N2O7P/c12-7-3-4-11(9(13)10-7)8-2-1-6(18-8)5-17-19(14,15)16/h3-4,6,8H,1-2,5H2,(H,10,12,13)(H2,14,15,16)/t6-,8+/m0/s1 | | Definition date: | 2003-02-13 | | Last modified: | 2011-06-04 | | Identifier: | [(2S,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate |
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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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 | | PFG | | Name: | 10-PARPARGYL-5,8-DIDEAZAFOLATE-4-GLUTAMIC ACID | | Formula: | C39 H44 N8 O15 | | SMILES: | O=C(O)C(NC(=O)CCC(C(=O)O)NC(=O)CCC(C(=O)O)NC(=O)CCC(C(=O)O)NC(=O)c1ccc(cc1)N(CC#C)Cc2ccc3NC(=NC(=O)c3c2)N)CCC(=O)O | | InChi: | InChI=1S/C39H44N8O15/c1-2-17-47(19-20-3-8-24-23(18-20)34(54)46-39(40)45-24)22-6-4-21(5-7-22)33(53)44-28(38(61)62)11-15-31(50)42-26(36(57)58)9-13-29(48)41-25(35(55)56)10-14-30(49)43-27(37(59)60)12-16-32(51)52/h1,3-8,18,25-28H,9-17,19H2,(H,41,48)(H,42,50)(H,43,49)(H,44,53)(H,51,52)(H,55,56)(H,57,58)(H,59,60)(H,61,62)(H3,40,45,46,54)/t25-,26-,27?,28-/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | N-[(4-{[(2-amino-4-oxo-1,4-dihydroquinazolin-6-yl)methyl](prop-2-yn-1-yl)amino}phenyl)carbonyl]-L-gamma-glutamyl-L-gamma-glutamyl-L-gamma-glutamylglutamic acid |
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 | | UBC | | Name: | (S)-1-(2-AMINO-2-CARBOXYETHYL)-3-(2-CARBOXYBENZYL)PYRIMIDINE-2,4-DIONE | | Formula: | C15 H15 N3 O6 | | SMILES: | O=C(O)c1ccccc1CN2C(=O)C=CN(C2=O)CC(N)C(=O)O | | InChi: | InChI=1S/C15H15N3O6/c16-11(14(22)23)8-17-6-5-12(19)18(15(17)24)7-9-3-1-2-4-10(9)13(20)21/h1-6,11H,7-8,16H2,(H,20,21)(H,22,23)/t11-/m0/s1 | | Definition date: | 2005-12-07 | | Last modified: | 2011-06-04 | | Identifier: | 2-({3-[(2S)-2-amino-2-carboxyethyl]-2,6-dioxo-3,6-dihydropyrimidin-1(2H)-yl}methyl)benzoic acid |
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 | | NCS | | Name: | SPIRO[[7-METHOXY-5-METHYL-1,2-DIHYDRO-NAPHTHALENE]-3,1'-[5-HYDROXY-9-[2-METHYLAMINO-2,6-DIDEOXYGALACTOPYRANOSYL-OXY]-5-(2-OXO-[1,3]DIOXOLAN-4-YL)-3A,5,9,9A-TETRAHYDRO-3H-1-OXA-CYCLOPENTA[A]-S-INDACEN-2-ONE]] | | Formula: | C35 H36 N O12 | | SMILES: | O=C1OCC(O1)C3(O)c2cc7c(cc2C=C3)C(OC4OC(C(O)C(O)C4[NH2+]C)C)C8OC(=O)C6(c5cc(OC)cc(c5C=CC6=O)C)C78 | | InChi: | InChI=1S/C35H35NO12/c1-14-9-17(43-4)11-22-18(14)5-6-23(37)35(22)25-19-12-21-16(7-8-34(21,42)24-13-44-33(41)46-24)10-20(19)29(30(25)48-32(35)40)47-31-26(36-3)28(39)27(38)15(2)45-31/h5-12,15,24-31,36,38-39,42H,13H2,1-4H3/p+1/t15-,24-,25-,26-,27+,28-,29-,30-,31-,34-,35+/m1/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | (3S,3aS,5R,9R,9aR)-5-hydroxy-7'-methoxy-5'-methyl-2,2'-dioxo-5-[(4R)-2-oxo-1,3-dioxolan-4-yl]-3a,5,9,9a-tetrahydro-2'H-spiro[s-indaceno[2,1-b]furan-3,1'-naphthalen]-9-yl 2,6-dideoxy-2-(methylammonio)-alpha-D-galactopyranoside |
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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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 | | UBF | | Name: | 3-({3-[(2S)-2-amino-2-carboxyethyl]-5-bromo-2,6-dioxo-3,6-dihydropyrimidin-1(2H)-yl}methyl)thiophene-2-carboxylic acid | | Formula: | C13 H12 Br N3 O6 S | | SMILES: | O=C(O)C(N)CN1C(=O)N(C(=O)C(Br)=C1)Cc2c(scc2)C(=O)O | | InChi: | InChI=1S/C13H12BrN3O6S/c14-7-4-16(5-8(15)11(19)20)13(23)17(10(7)18)3-6-1-2-24-9(6)12(21)22/h1-2,4,8H,3,5,15H2,(H,19,20)(H,21,22)/t8-/m0/s1 | | Definition date: | 2007-09-11 | | Last modified: | 2011-06-04 | | Identifier: | 3-({3-[(2S)-2-amino-2-carboxyethyl]-5-bromo-2,6-dioxo-3,6-dihydropyrimidin-1(2H)-yl}methyl)thiophene-2-carboxylic acid |
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 | | THZ | | Name: | 1-[(4S)-4-amino-5-(1,3-benzothiazol-2-yl)-5-oxopentyl]guanidine | | Formula: | C13 H17 N5 O S | | SMILES: | O=C(c1nc2ccccc2s1)C(N)CCCNC(=[N@H])N | | InChi: | InChI=1S/C13H17N5OS/c14-8(4-3-7-17-13(15)16)11(19)12-18-9-5-1-2-6-10(9)20-12/h1-2,5-6,8H,3-4,7,14H2,(H4,15,16,17)/t8-/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | 1-[(4S)-4-amino-5-(1,3-benzothiazol-2-yl)-5-oxopentyl]guanidine |
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 | | NR9 | | Name: | (5Z)-5-(quinolin-6-ylmethylidene)-2-[(thiophen-2-ylmethyl)amino]-1,3-thiazol-4(5H)-one | | Formula: | C18 H13 N3 O S2 | | SMILES: | O=C1N=C(S/C1=Cc3cc2cccnc2cc3)NCc4sccc4 | | InChi: | InChI=1S/C18H13N3OS2/c22-17-16(24-18(21-17)20-11-14-4-2-8-23-14)10-12-5-6-15-13(9-12)3-1-7-19-15/h1-10H,11H2,(H,20,21,22)/b16-10- | | Definition date: | 2010-07-02 | | Last modified: | 2011-06-04 | | Identifier: | (5Z)-5-(quinolin-6-ylmethylidene)-2-[(thiophen-2-ylmethyl)amino]-1,3-thiazol-4(5H)-one |
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 | | SOA | | Name: | ISATOIC ANHYDRIDE | | Formula: | C7 H9 N O | | SMILES: | OCc1ccccc1N | | InChi: | InChI=1S/C7H9NO/c8-7-4-2-1-3-6(7)5-9/h1-4,9H,5,8H2 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | (2-aminophenyl)methanol |
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 | | P0P | | Name: | [4-(DIHYDROXYMETHYL)-5-HYDROXY-6-METHYLPYRIDIN-3-YL]METHYL DIHYDROGEN PHOSPHATE | | Formula: | C8 H12 N O7 P | | SMILES: | O=P(O)(O)OCc1cnc(c(O)c1C(O)O)C | | InChi: | InChI=1S/C8H12NO7P/c1-4-7(10)6(8(11)12)5(2-9-4)3-16-17(13,14)15/h2,8,10-12H,3H2,1H3,(H2,13,14,15) | | Definition date: | 2006-04-14 | | Last modified: | 2011-06-04 | | Identifier: | [4-(dihydroxymethyl)-5-hydroxy-6-methylpyridin-3-yl]methyl dihydrogen phosphate |
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 | | XV1 | | Name: | 7-(2-fluorobenzyl)quinolin-8-ol | | Formula: | C16 H12 F N O | | SMILES: | Fc1ccccc1Cc2c(O)c3ncccc3cc2 | | InChi: | InChI=1S/C16H12FNO/c17-14-6-2-1-4-12(14)10-13-8-7-11-5-3-9-18-15(11)16(13)19/h1-9,19H,10H2 | | Definition date: | 2009-09-11 | | Last modified: | 2011-06-04 | | Identifier: | 7-(2-fluorobenzyl)quinolin-8-ol |
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 | | NCW | | Name: | (1S,2R,3S,4R,5R)-2,3,4-trihydroxy-N-octyl-6-oxa-8-azabicyclo[3.2.1]octane-8-carbothioamide | | Formula: | C15 H28 N2 O4 S | | SMILES: | S=C(N2C1C(O)C(O)C(O)C2OC1)NCCCCCCCC | | InChi: | InChI=1S/C15H28N2O4S/c1-2-3-4-5-6-7-8-16-15(22)17-10-9-21-14(17)13(20)12(19)11(10)18/h10-14,18-20H,2-9H2,1H3,(H,16,22)/t10-,11+,12-,13+,14+/m0/s1 | | Definition date: | 2008-04-09 | | Last modified: | 2011-06-04 | | Identifier: | (1S,2R,3S,4R,5R)-2,3,4-trihydroxy-N-octyl-6-oxa-8-azabicyclo[3.2.1]octane-8-carbothioamide |
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 | | TI2 | | Name: | (2-SULFANYL-3-PHENYLPROPANOYL)-PHE-TYR | | Formula: | C27 H28 N2 O5 S | | SMILES: | O=C(NC(C(=O)NC(C(=O)O)Cc1ccc(O)cc1)Cc2ccccc2)C(S)Cc3ccccc3 | | InChi: | InChI=1S/C27H28N2O5S/c30-21-13-11-20(12-14-21)16-23(27(33)34)29-25(31)22(15-18-7-3-1-4-8-18)28-26(32)24(35)17-19-9-5-2-6-10-19/h1-14,22-24,30,35H,15-17H2,(H,28,32)(H,29,31)(H,33,34)/t22-,23-,24-/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | N-[(2S)-3-phenyl-2-sulfanylpropanoyl]-L-phenylalanyl-L-tyrosine |
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 | | RU8 | | Name: | bis(2,2'-bipyridine-kappa~2~N~1~,N~1'~)[2-iodo-N-(1,10-phenanthrolin-5-yl-kappa~2~N~1~,N~10~)acetamide]ruthenium(2+) | | Formula: | C34 H26 I N7 O Ru | | SMILES: | ICC(=O)Nc1cc7c6c2c1cccn2[Ru+2]%105(n3ccccc3c4ccccn45)(n6ccc7)n8ccccc8c9ccccn9%10 | | InChi: | InChI=1S/C14H10IN3O.2C10H8N2.Ru/c15-8-12(19)18-11-7-9-3-1-5-16-13(9)14-10(11)4-2-6-17-14 | | Definition date: | 2010-07-20 | | Last modified: | 2011-06-04 | | Identifier: | bis(2,2'-bipyridine-kappa~2~N~1~,N~1'~)[2-iodo-N-(1,10-phenanthrolin-5-yl-kappa~2~N~1~,N~10~)acetamide]ruthenium(2+) |
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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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 | | NCX | | Name: | 1-(2-DEOXY-5-O-PHOSPHONO-BETA-D-ERYTHRO-PENTOFURANOSYL)-5-NITRO-1H-INDOLE-3-CARBOXAMIDE | | Formula: | C14 H16 N3 O9 P | | SMILES: | [O-][N+](=O)c2cc1c(cn(c1cc2)C3OC(C(O)C3)COP(=O)(O)O)C(=O)N | | InChi: | InChI=1S/C14H16N3O9P/c15-14(19)9-5-16(10-2-1-7(17(20)21)3-8(9)10)13-4-11(18)12(26-13)6-25-27(22,23)24/h1-3,5,11-13,18H,4,6H2,(H2,15,19)(H2,22,23,24)/t11-,12+,13+/m0/s1 | | Definition date: | 2007-01-25 | | Last modified: | 2011-06-04 | | Identifier: | 1-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-5-nitro-1H-indole-3-carboxamide |
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 | | ZGU | | Name: | (S)-1'-(2',3'-DIHYDROXYPROPYL)-GUANINE | | Formula: | C8 H12 N5 O6 P | | SMILES: | O=P(O)(O)OCC(O)Cn1c2N=C(NC(=O)c2nc1)N | | InChi: | InChI=1S/C8H12N5O6P/c9-8-11-6-5(7(15)12-8)10-3-13(6)1-4(14)2-19-20(16,17)18/h3-4,14H,1-2H2,(H2,16,17,18)(H3,9,11,12,15)/t4-/m0/s1 | | Definition date: | 2008-03-28 | | Last modified: | 2011-06-04 | | Identifier: | (2S)-3-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-2-hydroxypropyl dihydrogen phosphate |
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 | | WH6 | | Name: | 2-[(1R)-2-carboxy-1-(naphthalen-1-ylmethyl)ethyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid | | Formula: | C23 H17 N O6 | | SMILES: | O=C(O)CC(N2C(=O)c1ccc(cc1C2=O)C(=O)O)Cc4c3ccccc3ccc4 | | InChi: | InChI=1S/C23H17NO6/c25-20(26)12-16(10-14-6-3-5-13-4-1-2-7-17(13)14)24-21(27)18-9-8-15(23(29)30)11-19(18)22(24)28/h1-9,11,16H,10,12H2,(H,25,26)(H,29,30)/t16-/m1/s1 | | Definition date: | 2007-12-17 | | Last modified: | 2011-06-04 | | Identifier: | 2-[(1R)-2-carboxy-1-(naphthalen-1-ylmethyl)ethyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid |
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 | | PFQ | | Name: | 2-[(5,6-DIPHENYLFURO[2,3-D]PYRIMIDIN-4-YL)AMINO]ETHANOL | | Formula: | C20 H17 N3 O2 | | SMILES: | n1c(c2c(nc1)oc(c2c3ccccc3)c4ccccc4)NCCO | | InChi: | InChI=1S/C20H17N3O2/c24-12-11-21-19-17-16(14-7-3-1-4-8-14)18(15-9-5-2-6-10-15)25-20(17)23-13-22-19/h1-10,13,24H,11-12H2,(H,21,22,23) | | Definition date: | 2005-05-04 | | Last modified: | 2011-06-04 | | Identifier: | 2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]ethanol |
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 | | PFT | | Name: | 4-(1,3-dihydro-2H-isoindol-2-ylcarbonyl)benzene-1,3-diol | | Formula: | C15 H13 N O3 | | SMILES: | O=C(c1ccc(O)cc1O)N3Cc2ccccc2C3 | | InChi: | InChI=1S/C15H13NO3/c17-12-5-6-13(14(18)7-12)15(19)16-8-10-3-1-2-4-11(10)9-16/h1-7,17-18H,8-9H2 | | Definition date: | 2009-10-22 | | Last modified: | 2011-06-04 | | Identifier: | 1,3-dihydro-2H-isoindol-2-yl(2,4-dihydroxyphenyl)methanone |
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 | | VZZ | | Name: | 11-[(MERCAPTOCARBONYL)OXY]UNDECANOIC ACID | | Formula: | C12 H22 O4 S | | SMILES: | O=C(OCCCCCCCCCCC(=O)O)S | | InChi: | InChI=1S/C12H22O4S/c13-11(14)9-7-5-3-1-2-4-6-8-10-16-12(15)17/h1-10H2,(H,13,14)(H,15,17) | | Definition date: | 2007-07-26 | | Last modified: | 2011-06-04 | | Identifier: | 11-[(sulfanylcarbonyl)oxy]undecanoic acid |
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 | | RUF | | Name: | 7-(2-chlorobenzyl)-1,3-dimethyl-8-piperazin-1-yl-3,7-dihydro-1H-purine-2,6-dione | | Formula: | C18 H21 Cl N6 O2 | | SMILES: | Clc1ccccc1Cn2c(nc3c2C(=O)N(C(=O)N3C)C)N4CCNCC4 | | InChi: | InChI=1S/C18H21ClN6O2/c1-22-15-14(16(26)23(2)18(22)27)25(11-12-5-3-4-6-13(12)19)17(21-15)24-9-7-20-8-10-24/h3-6,20H,7-11H2,1-2H3 | | Definition date: | 2009-02-03 | | Last modified: | 2011-06-04 | | Identifier: | 7-(2-chlorobenzyl)-1,3-dimethyl-8-piperazin-1-yl-3,7-dihydro-1H-purine-2,6-dione |
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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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 | | XDK | | Name: | 2-AMINO-4-PYRIDYL-PYRIMIDINE | | Formula: | C9 H8 N4 | | SMILES: | n2c(c1cnccc1)ccnc2N | | InChi: | InChI=1S/C9H8N4/c10-9-12-5-3-8(13-9)7-2-1-4-11-6-7/h1-6H,(H2,10,12,13) | | Definition date: | 2010-05-04 | | Last modified: | 2011-06-04 | | Identifier: | 4-pyridin-3-ylpyrimidin-2-amine |
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