 | | TYN | | Name: | AMINOBENZOFURAZAN-O-TYROSINE | | Formula: | C15 H16 N4 O4 | | SMILES: | O=C(O)C(N)Cc3ccc(Oc2ccc(c1NONc12)N)cc3 | | InChi: | InChI=1S/C15H16N4O4/c16-10-5-6-12(14-13(10)18-23-19-14)22-9-3-1-8(2-4-9)7-11(17)15(20)21/h1-6,11,18-19H,7,16-17H2,(H,20,21)/t11-/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | O-(7-amino-1,3-dihydro-2,1,3-benzoxadiazol-4-yl)-L-tyrosine |
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 | | JCL | | Name: | 4-(6-CHLORO-2,4-DIOXO-1,2,3,4-TETRAHYDROPYRIMIDIN-5-YL) BUTYL PHOSPHATE | | Formula: | C8 H12 Cl N2 O6 P | | SMILES: | ClC1=C(C(=O)NC(=O)N1)CCCCOP(=O)(O)O | | InChi: | InChI=1S/C8H12ClN2O6P/c9-6-5(7(12)11-8(13)10-6)3-1-2-4-17-18(14,15)16/h1-4H2,(H2,14,15,16)(H2,10,11,12,13) | | Definition date: | 2005-12-09 | | Last modified: | 2011-06-04 | | Identifier: | 4-(6-chloro-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)butyl dihydrogen phosphate |
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 | | YE1 | | Name: | [(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-4-HYDROXY-3-(PHOSPHONOOXY)TETRAHYDROFURAN-2-YL]METHYL (3R)-4-({3-[(2-{[(3,5-DIHYDROXYPHENYL)ACETYL]AMINO}ETHYL)AMINO]-3-OXOPROPYL}AMINO)-3-HYDROXY-2,2-DIMETHYL-4-OXOBUTYL DIHYDROGEN DIPHOSPHATE | | Formula: | C29 H43 N8 O19 P3 | | SMILES: | O=C(NCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O)Cc4cc(O)cc(O)c4 | | InChi: | InChI=1S/C29H43N8O19P3/c1-29(2,24(43)27(44)33-4-3-19(40)31-5-6-32-20(41)9-15-7-16(38)10-17(39)8-15)12-53-59(50,51)56-58(48,49)52-11-18-23(55-57(45,46)47)22(42)28(54-18)37-14-36-21-25(30)34-13-35-26(21)37/h7-8,10,13-14,18,22-24,28,38-39,42-43H,3-6,9,11-12H2,1-2H3,(H,31,40)(H,32,41)(H,33,44)(H,48,49)(H,50,51)(H2,30,34,35)(H2,45,46,47)/t18-,22-,23-,24+,28-/m1/s1 | | Definition date: | 2006-11-07 | | Last modified: | 2011-06-04 | | Identifier: | [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3R)-4-({3-[(2-{[(3,5-dihydroxyphenyl)acetyl]amino}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl dihydrogen diphosphate (non-preferred name) |
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 | | XFE | | Name: | (3R)-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine | | Formula: | C11 H15 N5 | | SMILES: | n1cnc(c2c(cnc12)C)N3CCC(N)C3 | | InChi: | InChI=1S/C11H15N5/c1-7-4-13-10-9(7)11(15-6-14-10)16-3-2-8(12)5-16/h4,6,8H,2-3,5,12H2,1H3,(H,13,14,15)/t8-/m1/s1 | | Definition date: | 2010-05-07 | | Last modified: | 2011-06-04 | | Identifier: | (3R)-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine |
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 | | U | | Name: | URIDINE-5'-MONOPHOSPHATE | | Formula: | C9 H13 N2 O9 P | | SMILES: | O=C1NC(=O)N(C=C1)C2OC(C(O)C2O)COP(=O)(O)O | | InChi: | InChI=1S/C9H13N2O9P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | 5'-uridylic acid |
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 | | YE6 | | Name: | 5-(2-chlorophenyl)furan-2-carbohydrazide | | Formula: | C11 H9 Cl N2 O2 | | SMILES: | O=C(c2oc(c1c(Cl)cccc1)cc2)NN | | InChi: | InChI=1S/C11H9ClN2O2/c12-8-4-2-1-3-7(8)9-5-6-10(16-9)11(15)14-13/h1-6H,13H2,(H,14,15) | | Definition date: | 2007-03-29 | | Last modified: | 2011-06-04 | | Identifier: | 5-(2-chlorophenyl)furan-2-carbohydrazide |
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 | | X0J | | Name: | 4-[4-(biphenyl-3-ylmethyl)piperazin-1-yl]-N-{[4-({(1R)-3-(dimethylamino)-1-[(phenylsulfanyl)methyl]propyl}amino)-3-nitrophenyl]sulfonyl}benzamide | | Formula: | C42 H46 N6 O5 S2 | | SMILES: | [O-][N+](=O)c2cc(ccc2NC(CCN(C)C)CSc1ccccc1)S(=O)(=O)NC(=O)c6ccc(N5CCN(Cc4cc(c3ccccc3)ccc4)CC5)cc6 | | InChi: | InChI=1S/C42H46N6O5S2/c1-45(2)23-22-36(31-54-38-14-7-4-8-15-38)43-40-21-20-39(29-41(40)48(50)51)55(52,53)44-42(49)34-16-18-37(19-17-34)47-26-24-46(25-27-47)30-32-10-9-13-35(28-32)33-11-5-3-6-12-33/h3-21,28-29,36,43H,22-27,30-31H2,1-2H3,(H,44,49)/t36-/m1/s1 | | Definition date: | 2009-08-19 | | Last modified: | 2011-06-04 | | Identifier: | 4-[4-(biphenyl-3-ylmethyl)piperazin-1-yl]-N-[(4-{[(2R)-4-(dimethylamino)-1-(phenylsulfanyl)butan-2-yl]amino}-3-nitrophenyl)sulfonyl]benzamide |
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 | | YE7 | | Name: | IMIDAZO[2,1-A]ISOQUINOLINE-2-CARBOHYDRAZIDE | | Formula: | C12 H10 N4 O | | SMILES: | O=C(c1nc2c3c(ccn2c1)cccc3)NN | | InChi: | InChI=1S/C12H10N4O/c13-15-12(17)10-7-16-6-5-8-3-1-2-4-9(8)11(16)14-10/h1-7H,13H2,(H,15,17) | | Definition date: | 2007-03-29 | | Last modified: | 2011-06-04 | | Identifier: | imidazo[2,1-a]isoquinoline-2-carbohydrazide |
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 | | KLN | | Name: | 1-ACETYL-4-(4-{[(2S,4R)-2-(2,4-DICHLOROPHENYL)-2-(1H-IMIDAZOL-1-YLMETHYL)-1,3-DIOXOLAN-4-YL]METHOXY}PHENYL)PIPERAZINE | | Formula: | C26 H28 Cl2 N4 O4 | | SMILES: | O=C(N5CCN(c4ccc(OCC1OC(OC1)(c2ccc(Cl)cc2Cl)Cn3cncc3)cc4)CC5)C | | InChi: | InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m1/s1 | | Definition date: | 2007-05-15 | | Last modified: | 2011-06-04 | | Identifier: | 1-acetyl-4-(4-{[(2S,4R)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine |
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 | | ZY3 | | Name: | N-{(1S,2R)-1-BENZYL-2-HYDROXY-3-[(3-METHOXYBENZYL)AMINO]PROPYL}-6-(ETHYLAMINO)-1-METHYL-1,3,4,5-TETRAHYDRO-2,1-BENZOTHIAZEPINE-8-CARBOXAMIDE 2,2-DIOXIDE | | Formula: | C31 H40 N4 O5 S | | SMILES: | O=C(c1cc2c(c(NCC)c1)CCCS(=O)(=O)N2C)NC(Cc3ccccc3)C(O)CNCc4cccc(OC)c4 | | InChi: | InChI=1S/C31H40N4O5S/c1-4-33-27-18-24(19-29-26(27)14-9-15-41(38,39)35(29)2)31(37)34-28(17-22-10-6-5-7-11-22)30(36)21-32-20-23-12-8-13-25(16-23)40-3/h5-8,10-13,16,18-19,28,30,32-33,36H,4,9,14-15,17,20-21H2,1-3H3,(H,34,37)/t28-,30+/m0/s1 | | Definition date: | 2009-04-02 | | Last modified: | 2011-06-04 | | Identifier: | N-{(1S,2R)-1-benzyl-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}-6-(ethylamino)-1-methyl-1,3,4,5-tetrahydro-2,1-benzothiazepine-8-carboxamide 2,2-dioxide |
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 | | UDP | | Name: | URIDINE-5'-DIPHOSPHATE | | Formula: | C9 H14 N2 O12 P2 | | SMILES: | O=P(O)(O)OP(=O)(O)OCC2OC(N1C(=O)NC(=O)C=C1)C(O)C2O | | InChi: | InChI=1S/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | uridine 5'-(trihydrogen diphosphate) |
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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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 | | URA | | Name: | URACIL | | Formula: | C4 H4 N2 O2 | | SMILES: | O=C1C=CNC(=O)N1 | | InChi: | InChI=1S/C4H4N2O2/c7-3-1-2-5-4(8)6-3/h1-2H,(H2,5,6,7,8) | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | pyrimidine-2,4(1H,3H)-dione |
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 | | TYX | | Name: | S-(2-ANILINO-2-OXOETHYL)-L-CYSTEINE | | Formula: | C11 H14 N2 O3 S | | SMILES: | O=C(Nc1ccccc1)CSCC(C(=O)O)N | | InChi: | InChI=1S/C11H14N2O3S/c12-9(11(15)16)6-17-7-10(14)13-8-4-2-1-3-5-8/h1-5,9H,6-7,12H2,(H,13,14)(H,15,16)/t9-/m0/s1 | | Definition date: | 2007-05-07 | | Last modified: | 2011-06-04 | | Identifier: | S-[2-oxo-2-(phenylamino)ethyl]-L-cysteine |
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 | | ZY6 | | Name: | 1-[(2S)-4-(5-phenyl-1H-pyrazolo[3,4-b]pyridin-4-yl)morpholin-2-yl]methanamine | | Formula: | C17 H19 N5 O | | SMILES: | n2cc1c(c(cnc1n2)c3ccccc3)N4CC(OCC4)CN | | InChi: | InChI=1S/C17H19N5O/c18-8-13-11-22(6-7-23-13)16-14(12-4-2-1-3-5-12)9-19-17-15(16)10-20-21-17/h1-5,9-10,13H,6-8,11,18H2,(H,19,20,21)/t13-/m0/s1 | | Definition date: | 2009-07-03 | | Last modified: | 2011-06-04 | | Identifier: | 1-[(2S)-4-(5-phenyl-1H-pyrazolo[3,4-b]pyridin-4-yl)morpholin-2-yl]methanamine |
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 | | UDS | | Name: | N-[(3-HYDROXYQUINOLIN-2-YL)CARBONYL]-D-SERINE | | Formula: | C13 H12 N2 O5 | | SMILES: | O=C(O)C(NC(=O)c1nc2ccccc2cc1O)CO | | InChi: | InChI=1S/C13H12N2O5/c16-6-9(13(19)20)15-12(18)11-10(17)5-7-3-1-2-4-8(7)14-11/h1-5,9,16-17H,6H2,(H,15,18)(H,19,20)/t9-/m1/s1 | | Definition date: | 2010-07-14 | | Last modified: | 2011-06-04 | | Identifier: | N-[(3-hydroxyquinolin-2-yl)carbonyl]-D-serine |
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 | | TZ1 | | Name: | N-{5-[(7-chloroquinolin-4-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}thiophene-2-carboxamide | | Formula: | C16 H9 Cl N4 O S3 | | SMILES: | Clc4ccc3c(Sc1nnc(s1)NC(=O)c2sccc2)ccnc3c4 | | InChi: | InChI=1S/C16H9ClN4OS3/c17-9-3-4-10-11(8-9)18-6-5-12(10)24-16-21-20-15(25-16)19-14(22)13-2-1-7-23-13/h1-8H,(H,19,20,22) | | Definition date: | 2010-07-16 | | Last modified: | 2011-06-04 | | Identifier: | N-{5-[(7-chloroquinolin-4-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}thiophene-2-carboxamide |
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 | | ZH1 | | Name: | methyl 4'-(alpha-D-mannopyranosyloxy)biphenyl-3-carboxylate | | Formula: | C20 H22 O8 | | SMILES: | O=C(OC)c1cccc(c1)c3ccc(OC2OC(C(O)C(O)C2O)CO)cc3 | | InChi: | InChI=1S/C20H22O8/c1-26-19(25)13-4-2-3-12(9-13)11-5-7-14(8-6-11)27-20-18(24)17(23)16(22)15(10-21)28-20/h2-9,15-18,20-24H,10H2,1H3/t15-,16-,17+,18+,20+/m1/s1 | | Definition date: | 2010-04-12 | | Last modified: | 2011-06-04 | | Identifier: | methyl 4'-(alpha-D-mannopyranosyloxy)biphenyl-3-carboxylate |
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 | | XXP | | Name: | 2-KETO,5-NITRO,6-HYDROXY-3,5-HEXADIENOIC ACID | | Formula: | C6 H5 N O6 | | SMILES: | [O-][N+](=O)C(/C=CC(=O)C(=O)O)=C/O | | InChi: | InChI=1S/C6H5NO6/c8-3-4(7(12)13)1-2-5(9)6(10)11/h1-3,8H,(H,10,11)/b2-1-,4-3+ | | Definition date: | 2006-10-05 | | Last modified: | 2011-06-04 | | Identifier: | (3Z,5E)-6-hydroxy-5-nitro-2-oxohexa-3,5-dienoic acid |
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 | | YEN | | Name: | N-{(2S)-4-(methylamino)-4-oxo-2-[4-(phosphonooxy)benzyl]butanoyl}-L-alpha-glutamyl-L-aspartamide | | Formula: | C21 H30 N5 O11 P | | SMILES: | O=C(N)C(NC(=O)C(NC(=O)C(CC(=O)NC)Cc1ccc(OP(=O)(O)O)cc1)CCC(=O)O)CC(=O)N | | InChi: | InChI=1S/C21H30N5O11P/c1-24-17(28)9-12(8-11-2-4-13(5-3-11)37-38(34,35)36)20(32)25-14(6-7-18(29)30)21(33)26-15(19(23)31)10-16(22)27/h2-5,12,14-15H,6-10H2,1H3,(H2,22,27)(H2,23,31)(H,24,28)(H,25,32)(H,26,33)(H,29,30)(H2,34,35,36)/t12-,14-,15-/m0/s1 | | Definition date: | 2010-02-03 | | Last modified: | 2011-06-04 | | Identifier: | N-{(2S)-4-(methylamino)-4-oxo-2-[4-(phosphonooxy)benzyl]butanoyl}-L-alpha-glutamyl-L-aspartamide |
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 | | X0V | | Name: | 4-(TRIFLUOROMETHYL)BENZENE-1,2-DIAMINE | | Formula: | C7 H7 F3 N2 | | SMILES: | FC(F)(F)c1cc(N)c(N)cc1 | | InChi: | InChI=1S/C7H7F3N2/c8-7(9,10)4-1-2-5(11)6(12)3-4/h1-3H,11-12H2 | | Definition date: | 2009-12-17 | | Last modified: | 2011-06-04 | | Identifier: | 4-(trifluoromethyl)benzene-1,2-diamine |
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 | | URI | | Name: | URIDINE | | Formula: | C9 H12 N2 O6 | | SMILES: | O=C1NC(=O)N(C=C1)C2OC(C(O)C2O)CO | | InChi: | InChI=1S/C9H12N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h1-2,4,6-8,12,14-15H,3H2,(H,10,13,16)/t4-,6-,7-,8-/m1/s1 | | Definition date: | 2001-03-08 | | Last modified: | 2011-06-04 | | Identifier: | uridine |
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 | | W14 | | Name: | 2-(trifluoroacetyl)-1,2,3,4-tetrahydroisoquinolin-7-ol | | Formula: | C11 H10 F3 N O2 | | SMILES: | FC(F)(F)C(=O)N2Cc1c(ccc(O)c1)CC2 | | InChi: | InChI=1S/C11H10F3NO2/c12-11(13,14)10(17)15-4-3-7-1-2-9(16)5-8(7)6-15/h1-2,5,16H,3-4,6H2 | | Definition date: | 2010-10-05 | | Last modified: | 2011-06-04 | | Identifier: | 2,2,2-trifluoro-1-(7-hydroxy-3,4-dihydroisoquinolin-2(1H)-yl)ethanone |
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 | | YES | | Name: | 3-(2-hydroxyethyl)-2,2-bis(hydroxymethyl)pentane-1,5-diol | | Formula: | C9 H20 O5 | | SMILES: | OCC(C(CCO)CCO)(CO)CO | | InChi: | InChI=1S/C9H20O5/c10-3-1-8(2-4-11)9(5-12,6-13)7-14/h8,10-14H,1-7H2 | | Definition date: | 2009-03-19 | | Last modified: | 2011-06-04 | | Identifier: | 3-(2-hydroxyethyl)-2,2-bis(hydroxymethyl)pentane-1,5-diol |
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 | | XG4 | | Name: | 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]guanosine | | Formula: | C10 H17 N6 O12 P3 | | SMILES: | O=P(O)(O)OP(=O)(O)NP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)CC3O | | InChi: | InChI=1S/C10H17N6O12P3/c11-10-13-8-7(9(18)14-10)12-3-16(8)6-1-4(17)5(27-6)2-26-29(19,20)15-30(21,22)28-31(23,24)25/h3-6,17H,1-2H2,(H2,23,24,25)(H3,11,13,14,18)(H3,15,19,20,21,22)/t4-,5+,6+/m0/s1 | | Definition date: | 2010-06-21 | | Last modified: | 2011-06-04 | | Identifier: | 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]guanosine |
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