 | | 4NI | | Name: | 4-nitrobutanoic acid | | Formula: | C4 H7 N O4 | | SMILES: | [O-][N+](=O)CCCC(=O)O | | InChi: | InChI=1S/C4H7NO4/c6-4(7)2-1-3-5(8)9/h1-3H2,(H,6,7) | | Definition date: | 2007-09-10 | | Last modified: | 2011-06-04 | | Identifier: | 4-nitrobutanoic acid |
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 | | 4NL | | Name: | 4-AMINOPHENOL | | Formula: | C6 H7 N O | | SMILES: | Oc1ccc(N)cc1 | | InChi: | InChI=1S/C6H7NO/c7-5-1-3-6(8)4-2-5/h1-4,8H,7H2 | | Definition date: | 2007-02-05 | | Last modified: | 2011-06-04 | | Identifier: | 4-aminophenol |
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 | | 4NM | | Name: | 4-NITROPHENYL METHANETHIOL | | Formula: | C7 H8 N O2 S | | SMILES: | O=[N+](O)c1ccc(cc1)CS | | InChi: | InChI=1S/C7H7NO2S/c9-8(10)7-3-1-6(5-11)2-4-7/h1-4H,5H2,(H-,9,10,11)/p+1 | | Definition date: | 2008-02-08 | | Last modified: | 2011-06-04 | | Identifier: | hydroxy(oxo)[4-(sulfanylmethyl)phenyl]ammonium |
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 | | 4NP | | Name: | 4-NITROPHENYL PHOSPHATE | | Formula: | C6 H6 N O6 P | | SMILES: | O=P(Oc1ccc(cc1)[N+]([O-])=O)(O)O | | InChi: | InChI=1S/C6H6NO6P/c8-7(9)5-1-3-6(4-2-5)13-14(10,11)12/h1-4H,(H2,10,11,12) | | Definition date: | 1999-09-21 | | Last modified: | 2011-06-04 | | Identifier: | 4-nitrophenyl dihydrogen phosphate |
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 | | 4NZ | | Name: | 4-nitrobenzenesulfonamide | | Formula: | C6 H6 N2 O4 S | | SMILES: | O=S(=O)(N)c1ccc([N+]([O-])=O)cc1 | | InChi: | InChI=1S/C6H6N2O4S/c7-13(11,12)6-3-1-5(2-4-6)8(9)10/h1-4H,(H2,7,11,12) | | Definition date: | 2010-04-01 | | Last modified: | 2011-06-04 | | Identifier: | 4-nitrobenzenesulfonamide |
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 | | 4OC | | Name: | 4N,O2'-METHYLCYTIDINE-5'-MONOPHOSPHATE | | Formula: | C11 H18 N3 O8 P | | SMILES: | O=C1N=C(NC)C=CN1C2OC(C(O)C2OC)COP(=O)(O)O | | InChi: | InChI=1S/C11H18N3O8P/c1-12-7-3-4-14(11(16)13-7)10-9(20-2)8(15)6(22-10)5-21-23(17,18)19/h3-4,6,8-10,15H,5H2,1-2H3,(H,12,13,16)(H2,17,18,19)/t6-,8-,9-,10-/m1/s1 | | Definition date: | 2006-08-24 | | Last modified: | 2011-06-04 | | Identifier: | N-methyl-2'-O-methylcytidine 5'-(dihydrogen phosphate) |
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 | | 4P5 | | Name: | 4H-furo[3,2-b]pyrrole-5-carboxylic acid | | Formula: | C7 H5 N O3 | | SMILES: | O=C(O)c2cc1occc1n2 | | InChi: | InChI=1S/C7H5NO3/c9-7(10)5-3-6-4(8-5)1-2-11-6/h1-3,8H,(H,9,10) | | Definition date: | 2008-04-29 | | Last modified: | 2011-06-04 | | Identifier: | 4H-furo[3,2-b]pyrrole-5-carboxylic acid |
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 | | H21 | | Name: | 5-chloro-N-[1-(2-{[2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl]amino}-2-oxoethyl)-1H-1,2,4-triazol-3-yl]thiophene-2-carboxamide | | Formula: | C20 H14 Cl F N6 O3 S | | SMILES: | O=C(Nc1ncn(n1)CC(=O)Nc3ccc(N2C=CC=CC2=O)cc3F)c4sc(Cl)cc4 | | InChi: | InChI=1S/C20H14ClFN6O3S/c21-16-7-6-15(32-16)19(31)25-20-23-11-27(26-20)10-17(29)24-14-5-4-12(9-13(14)22)28-8-2-1-3-18(28)30/h1-9,11H,10H2,(H,24,29)(H,25,26,31) | | Definition date: | 2008-06-12 | | Last modified: | 2011-06-04 | | Identifier: | 5-chloro-N-[1-(2-{[2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl]amino}-2-oxoethyl)-1H-1,2,4-triazol-3-yl]thiophene-2-carboxamide |
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 | | H22 | | Name: | 5-chloro-N-[(3R)-1-(2-{[2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl]amino}-2-oxoethyl)pyrrolidin-3-yl]thiophene-2-carboxamide | | Formula: | C22 H20 Cl F N4 O3 S | | SMILES: | O=C(NC3CCN(CC(=O)Nc2ccc(N1C=CC=CC1=O)cc2F)C3)c4sc(Cl)cc4 | | InChi: | InChI=1S/C22H20ClFN4O3S/c23-19-7-6-18(32-19)22(31)25-14-8-10-27(12-14)13-20(29)26-17-5-4-15(11-16(17)24)28-9-2-1-3-21(28)30/h1-7,9,11,14H,8,10,12-13H2,(H,25,31)(H,26,29)/t14-/m1/s1 | | Definition date: | 2008-06-11 | | Last modified: | 2011-06-04 | | Identifier: | 5-chloro-N-[(3R)-1-(2-{[2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl]amino}-2-oxoethyl)pyrrolidin-3-yl]thiophene-2-carboxamide |
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 | | H25 | | Name: | 5-Chloro-thiophene-2-carboxylic acid ((3S,4S)-1-{[2-fluoro-4-(2-oxo-2H-pyridin-1-yl)-phenylcarbamoyl]-methyl}-4-hydroxy-pyrrolidin-3-yl)-amide | | Formula: | C22 H20 Cl F N4 O4 S | | SMILES: | O=C(NC3C(O)CN(CC(=O)Nc2ccc(N1C=CC=CC1=O)cc2F)C3)c4sc(Cl)cc4 | | InChi: | InChI=1S/C22H20ClFN4O4S/c23-19-7-6-18(33-19)22(32)26-16-10-27(11-17(16)29)12-20(30)25-15-5-4-13(9-14(15)24)28-8-2-1-3-21(28)31/h1-9,16-17,29H,10-12H2,(H,25,30)(H,26,32)/t16-,17-/m0/s1 | | Definition date: | 2008-06-26 | | Last modified: | 2011-06-04 | | Identifier: | 5-chloro-N-[(3S,4S)-1-(2-{[2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl]amino}-2-oxoethyl)-4-hydroxypyrrolidin-3-yl]thiophene-2-carboxamide |
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 | | H2U | | Name: | 5,6-DIHYDROURIDINE-5'-MONOPHOSPHATE | | Formula: | C9 H15 N2 O9 P | | SMILES: | O=C1N(CCC(=O)N1)C2OC(C(O)C2O)COP(=O)(O)O | | InChi: | InChI=1S/C9H15N2O9P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h4,6-8,13-14H,1-3H2,(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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 | | H33 | | Name: | 8-CHLORO-1,3-DIMETHYL-3,7-DIHYDRO-1H-PURINE-2,6-DIONE | | Formula: | C7 H7 Cl N4 O2 | | SMILES: | O=C2N(c1nc(Cl)nc1C(=O)N2C)C | | InChi: | InChI=1S/C7H7ClN4O2/c1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14/h1-2H3,(H,9,10) | | Definition date: | 2007-04-02 | | Last modified: | 2011-06-04 | | Identifier: | 8-chloro-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
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 | | H35 | | Name: | N-(FURAN-2-YLMETHYL)-7H-PURIN-6-AMINE | | Formula: | C10 H9 N5 O | | SMILES: | n2c(NCc1occc1)c3ncnc3nc2 | | InChi: | InChI=1S/C10H9N5O/c1-2-7(16-3-1)4-11-9-8-10(13-5-12-8)15-6-14-9/h1-3,5-6H,4H2,(H2,11,12,13,14,15) | | Definition date: | 2007-04-02 | | Last modified: | 2011-06-04 | | Identifier: | N-(furan-2-ylmethyl)-7H-purin-6-amine |
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 | | H4P | | Name: | 1-DEOXY-6-O-PHOSPHONO-1-[(PHOSPHONOMETHYL)AMINO]-L-THREO-HEXITOL | | Formula: | C7 H19 N O11 P2 | | SMILES: | O=P(O)(O)OCC(O)C(O)C(O)C(O)CNCP(=O)(O)O | | InChi: | InChI=1S/C7H19NO11P2/c9-4(1-8-3-20(13,14)15)6(11)7(12)5(10)2-19-21(16,17)18/h4-12H,1-3H2,(H2,13,14,15)(H2,16,17,18)/t4-,5-,6-,7-/m1/s1 | | Definition date: | 2003-05-19 | | Last modified: | 2011-06-04 | | Identifier: | 1-deoxy-6-O-phosphono-1-[(phosphonomethyl)amino]-D-mannitol |
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 | | H4Z | | Name: | 5-(4-{[1-(2-AMINO-5-FORMYL-7-METHYL-4-OXO-3,4,5,6,7,8-HEXAHYDROPTERIDIN-6-YL)ETHYL]AMINO}PHENYL)-5-DEOXY-1-O-{5-O-[(1,3-DICARBOXYPROPOXY)(HYDROXY)PHOSPHORYL]PENTOFURANOSYL}PENTITOL | | Formula: | C31 H45 N6 O17 P | | SMILES: | O=C2NC(=NC=1NC(C)C(N(C=O)C=12)C(Nc3ccc(cc3)CC(O)C(O)C(O)COC4OC(C(O)C4O)COP(=O)(OC(C(=O)O)CCC(=O)O)O)C)N | | InChi: | InChI=1S/C31H45N6O17P/c1-13(22-14(2)34-27-23(37(22)12-38)28(46)36-31(32)35-27)33-16-5-3-15(4-6-16)9-17(39)24(43)18(40)10-51-30-26(45)25(44)20(53-30)11-52-55(49,50)54-19(29(47)48)7-8-21(41)42/h3-6,12-14,17-20,22,24-26,30,33,39-40,43-45H,7-11H2,1-2H3,(H,41,42)(H,47,48)(H,49,50)(H4,32,34,35,36,46)/t13-,14?,17?,18?,19?,20?,22+,24?,25?,26?,30?/m1/s1 | | Definition date: | 2006-02-10 | | Last modified: | 2011-06-04 | | Identifier: | 1-[4-({(1R)-1-[(6S,7S)-2-amino-5-formyl-7-methyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]ethyl}amino)phenyl]-1-deoxy-5-O-{5-O-[(1,3-dicarboxypropoxy)(hydroxy)phosphoryl]pentofuranosyl}pentitol |
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 | | H52 | | Name: | (S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]-HOMOPIPERAZINE | | Formula: | C16 H21 N3 O2 S | | SMILES: | O=S(=O)(c2c1c(cncc1ccc2)C)N3C(CNCCC3)C | | InChi: | InChI=1S/C16H21N3O2S/c1-12-9-18-11-14-5-3-6-15(16(12)14)22(20,21)19-8-4-7-17-10-13(19)2/h3,5-6,9,11,13,17H,4,7-8,10H2,1-2H3/t13-/m0/s1 | | Definition date: | 2003-08-26 | | Last modified: | 2011-06-04 | | Identifier: | 4-methyl-5-{[(2S)-2-methyl-1,4-diazepan-1-yl]sulfonyl}isoquinoline |
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 | | H5S | | Name: | (5S)-5-tert-butyl-1-(4-fluoro-3-methylbenzyl)-4-hydroxy-3-[8-(methylsulfonyl)-1,1-dioxido-6,7,8,9-tetrahydroisothiazolo[4,5-h]isoquinolin-3-yl]-1,5-dihydro-2H-pyrrol-2-one | | Formula: | C27 H30 F N3 O6 S2 | | SMILES: | Fc1ccc(cc1C)CN5C(=O)C(C3=NS(=O)(=O)c2c4c(ccc23)CCN(C4)S(=O)(=O)C)=C(O)C5C(C)(C)C | | InChi: | InChI=1S/C27H30FN3O6S2/c1-15-12-16(6-9-20(15)28)13-31-25(27(2,3)4)23(32)21(26(31)33)22-18-8-7-17-10-11-30(38(5,34)35)14-19(17)24(18)39(36,37)29-22/h6-9,12,25,32H,10-11,13-14H2,1-5H3/t25-/m1/s1 | | Definition date: | 2009-04-29 | | Last modified: | 2011-06-04 | | Identifier: | (5S)-5-tert-butyl-1-(4-fluoro-3-methylbenzyl)-4-hydroxy-3-[8-(methylsulfonyl)-1,1-dioxido-6,7,8,9-tetrahydroisothiazolo[4,5-h]isoquinolin-3-yl]-1,5-dihydro-2H-pyrrol-2-one |
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 | | HA2 | | Name: | 6-[{(2S)-2-AMINO-3-[4-(BENZYLOXY)PHENYL]PROPYL}(HYDROXY)AMINO]-6-OXOHEXANOIC ACID) | | Formula: | C22 H28 N2 O5 | | SMILES: | O=C(O)CCCCC(=O)N(O)CC(N)Cc2ccc(OCc1ccccc1)cc2 | | InChi: | InChI=1S/C22H28N2O5/c23-19(15-24(28)21(25)8-4-5-9-22(26)27)14-17-10-12-20(13-11-17)29-16-18-6-2-1-3-7-18/h1-3,6-7,10-13,19,28H,4-5,8-9,14-16,23H2,(H,26,27)/t19-/m0/s1 | | Definition date: | 2007-12-07 | | Last modified: | 2011-06-04 | | Identifier: | 6-[{(2S)-2-amino-3-[4-(benzyloxy)phenyl]propyl}(hydroxy)amino]-6-oxohexanoic acid |
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 | | HA3 | | Name: | N-hydroxy-5-[(3-phenyl-5,6-dihydroimidazo[1,2-a]pyrazin-7(8H)-yl)carbonyl]thiophene-2-carboxamide | | Formula: | C18 H16 N4 O3 S | | SMILES: | O=C(c1sc(C(=O)NO)cc1)N4Cc3ncc(c2ccccc2)n3CC4 | | InChi: | InChI=1S/C18H16N4O3S/c23-17(20-25)14-6-7-15(26-14)18(24)21-8-9-22-13(10-19-16(22)11-21)12-4-2-1-3-5-12/h1-7,10,25H,8-9,11H2,(H,20,23) | | Definition date: | 2008-03-17 | | Last modified: | 2011-06-04 | | Identifier: | N-hydroxy-5-[(3-phenyl-5,6-dihydroimidazo[1,2-a]pyrazin-7(8H)-yl)carbonyl]thiophene-2-carboxamide |
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 | | HAB | | Name: | 2-((4'-HYDROXYPHENYL)-AZO)BENZOIC ACID | | Formula: | C13 H10 N2 O3 | | SMILES: | O=C(O)c2ccccc2/N=N/c1ccc(O)cc1 | | InChi: | InChI=1S/C13H10N2O3/c16-10-7-5-9(6-8-10)14-15-12-4-2-1-3-11(12)13(17)18/h1-8,16H,(H,17,18)/b15-14+ | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | 2-[(E)-(4-hydroxyphenyl)diazenyl]benzoic acid |
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 | | HAH | | Name: | (1S,2S,3R,6R)-6-[(2-hydroxybenzyl)amino]cyclohex-4-ene-1,2,3-triol | | Formula: | C13 H17 N O4 | | SMILES: | OC2C(NCc1ccccc1O)C=CC(O)C2O | | InChi: | InChI=1S/C13H17NO4/c15-10-4-2-1-3-8(10)7-14-9-5-6-11(16)13(18)12(9)17/h1-6,9,11-18H,7H2/t9-,11-,12+,13+/m1/s1 | | Definition date: | 2008-10-06 | | Last modified: | 2011-06-04 | | Identifier: | (1S,2S,3R,6R)-6-[(2-hydroxybenzyl)amino]cyclohex-4-ene-1,2,3-triol |
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 | | HAI | | Name: | CYCLOHEXYLAMMONIUM ION | | Formula: | C6 H14 N | | SMILES: | [NH3+]C1CCCCC1 | | InChi: | InChI=1S/C6H13N/c7-6-4-2-1-3-5-6/h6H,1-5,7H2/p+1 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | cyclohexanaminium |
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 | | HAL | | Name: | N-{[2-({[1-(4-CARBOXYBUTANOYL)AMINO]-2-PHENYLETHYL}-HYDROXYPHOSPHINYL)OXY]ACETYL}-2-PHENYLETHYLAMINE | | Formula: | C23 H29 N2 O7 P | | SMILES: | O=C(O)CCCC(=O)NC(P(=O)(O)OCC(=O)NCCc1ccccc1)Cc2ccccc2 | | InChi: | InChI=1S/C23H29N2O7P/c26-20(12-7-13-23(28)29)25-22(16-19-10-5-2-6-11-19)33(30,31)32-17-21(27)24-15-14-18-8-3-1-4-9-18/h1-6,8-11,22H,7,12-17H2,(H,24,27)(H,25,26)(H,28,29)(H,30,31)/t22-/m0/s1 | | Definition date: | 2002-08-29 | | Last modified: | 2011-06-04 | | Identifier: | (7R,8S)-8-benzyl-7-hydroxy-4,10-dioxo-1-phenyl-6-oxa-3,9-diaza-7-phosphatetradecan-14-oic acid 7-oxide |
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 | | HAM | | Name: | HISTIDYL-ADENOSINE MONOPHOSPHATE | | Formula: | C16 H21 N8 O8 P | | SMILES: | [O-]P(=O)(OC(=O)C([NH3+])Cc1ncnc1)OCC4OC(n3cnc2c(ncnc23)N)C(O)C4O | | InChi: | InChI=1S/C16H21N8O8P/c17-8(1-7-2-19-4-20-7)16(27)32-33(28,29)30-3-9-11(25)12(26)15(31-9)24-6-23-10-13(18)21-5-22-14(10)24/h2,4-6,8-9,11-12,15,25-26H,1,3,17H2,(H,19,20)(H,28,29)(H2,18,21,22)/t8-,9+,11+,12+,15+/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | 5'-O-({[(2S)-2-ammonio-3-(1H-imidazol-4-yl)propanoyl]oxy}phosphinato)adenosine |
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 | | HBA | | Name: | P-HYDROXYBENZALDEHYDE | | Formula: | C7 H6 O2 | | SMILES: | O=Cc1ccc(O)cc1 | | InChi: | InChI=1S/C7H6O2/c8-5-6-1-3-7(9)4-2-6/h1-5,9H | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | 4-hydroxybenzaldehyde |
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