 | | A29 | | Name: | 2-(3-HYDROXYPHENYL)-2-OXO-ETHANOIC ACID | | Formula: | C8 H6 O4 | | SMILES: | O=C(c1cc(O)ccc1)C(=O)O | | InChi: | InChI=1S/C8H6O4/c9-6-3-1-2-5(4-6)7(10)8(11)12/h1-4,9H,(H,11,12) | | Definition date: | 2009-02-02 | | Last modified: | 2011-06-04 | | Identifier: | (3-hydroxyphenyl)(oxo)acetic acid |
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 | | A2C | | Name: | 3,3'-[ethane-1,2-diylbis(nitrilomethylylidene)]bis(4-hydroxybenzenecarboximidamide) | | Formula: | C18 H20 N6 O2 | | SMILES: | NC(=N)c1ccc(O)c(C=NCCN=Cc2cc(ccc2O)C(N)=N)c1 | | InChi: | InChI=1S/C18H20N6O2/c19-17(20)11-1-3-15(25)13(7-11)9-23-5-6-24-10-14-8-12(18(21)22)2-4-16(14)26/h1-4,7-10,25-26H,5-6H2,(H3,19,20)(H3,21,22) | | Definition date: | 2009-12-03 | | Last modified: | 2011-06-04 | | Identifier: | 3-[2-[(5-carbamimidoyl-2-hydroxy-phenyl)methylideneamino]ethyliminomethyl]-4-hydroxy-benzenecarboximidamide |
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 | | NUP | | Name: | 6-AMINOURIDINE 5'-MONOPHOSPHATE | | Formula: | C9 H14 N3 O9 P | | SMILES: | O=C1NC(=O)N(C(N)=C1)C2OC(C(O)C2O)COP(=O)(O)O | | InChi: | InChI=1S/C9H14N3O9P/c10-4-1-5(13)11-9(16)12(4)8-7(15)6(14)3(21-8)2-20-22(17,18)19/h1,3,6-8,14-15H,2,10H2,(H,11,13,16)(H2,17,18,19)/t3-,6-,7-,8-/m1/s1 | | Definition date: | 2007-06-28 | | Last modified: | 2011-06-04 | | Identifier: | 6-aminouridine 5'-(dihydrogen phosphate) |
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 | | A2L | | Name: | 3'-O-METHYOXYETHYL-ADENOSINE 5'-MONOPHOSPHATE | | Formula: | C13 H20 N5 O8 P | | SMILES: | O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OCCOC | | InChi: | InChI=1S/C13H20N5O8P/c1-23-2-3-24-10-7(4-25-27(20,21)22)26-13(9(10)19)18-6-17-8-11(14)15-5-16-12(8)18/h5-7,9-10,13,19H,2-4H2,1H3,(H2,14,15,16)(H2,20,21,22)/t7-,9-,10-,13-/m1/s1 | | Definition date: | 2004-10-29 | | Last modified: | 2011-06-04 | | Identifier: | 3'-O-(2-methoxyethyl)adenosine 5'-(dihydrogen phosphate) |
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 | | A2M | | Name: | 2'-O-methyladenosine 5'-(dihydrogen phosphate) | | Formula: | C11 H16 N5 O7 P | | SMILES: | O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(OC)C3O | | InChi: | InChI=1S/C11H16N5O7P/c1-21-8-7(17)5(2-22-24(18,19)20)23-11(8)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17H,2H2,1H3,(H2,12,13,14)(H2,18,19,20)/t5-,7-,8-,11-/m1/s1 | | Definition date: | 2002-07-25 | | Last modified: | 2011-06-04 | | Identifier: | 2'-O-methyladenosine 5'-(dihydrogen phosphate) |
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 | | A2P | | Name: | ADENOSINE-2'-5'-DIPHOSPHATE | | Formula: | C10 H15 N5 O10 P2 | | SMILES: | O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(OP(=O)(O)O)C3O | | InChi: | InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(25-27(20,21)22)6(16)4(24-10)1-23-26(17,18)19/h2-4,6-7,10,16H,1H2,(H2,11,12,13)(H2,17,18,19)(H2,20,21,22)/t4-,6-,7-,10-/m1/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | adenosine 2',5'-bis(dihydrogen phosphate) |
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 | | A2R | | Name: | [(2R,3R,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3-HYDROXY-4-(PHOSPHONOOXY)TETRAHYDROFURAN-2-YL]METHYL [(2R,3S,4R,5R)-3,4,5-TRIHYDROXYTETRAHYDROFURAN-2-YL]METHYL DIHYDROGEN DIPHOSPHATE | | Formula: | C15 H24 N5 O17 P3 | | SMILES: | O=P(O)(O)OC3C(O)C(OC3n1c2ncnc(N)c2nc1)COP(=O)(O)OP(=O)(O)OCC4OC(O)C(O)C4O | | InChi: | InChI=1S/C15H24N5O17P3/c16-12-7-13(18-3-17-12)20(4-19-7)14-11(36-38(25,26)27)9(22)6(34-14)2-33-40(30,31)37-39(28,29)32-1-5-8(21)10(23)15(24)35-5/h3-6,8-11,14-15,21-24H,1-2H2,(H,28,29)(H,30,31)(H2,16,17,18)(H2,25,26,27)/t5-,6-,8-,9-,10-,11-,14-,15-/m1/s1 | | Definition date: | 2007-05-24 | | Last modified: | 2011-06-04 | | Identifier: | [(2R,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxy-4-(phosphonooxy)tetrahydrofuran-2-yl]methyl [(2R,3S,4R,5R)-3,4,5-trihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name) |
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 | | A2T | | Name: | N-[1-(3-METHYLBUTYL)PIPERIDIN-4-YL]-N-{4-[METHYL(PYRIDIN-4-YL)AMINO]BENZYL}-4-PENTYLBENZAMIDE | | Formula: | C35 H48 N4 O | | SMILES: | O=C(c1ccc(cc1)CCCCC)N(C2CCN(CCC(C)C)CC2)Cc4ccc(N(c3ccncc3)C)cc4 | | InChi: | InChI=1S/C35H48N4O/c1-5-6-7-8-29-9-13-31(14-10-29)35(40)39(34-20-25-38(26-21-34)24-19-28(2)3)27-30-11-15-32(16-12-30)37(4)33-17-22-36-23-18-33/h9-18,22-23,28,34H,5-8,19-21,24-27H2,1-4H3 | | Definition date: | 2006-10-02 | | Last modified: | 2011-06-04 | | Identifier: | N-[1-(3-methylbutyl)piperidin-4-yl]-N-{4-[methyl(pyridin-4-yl)amino]benzyl}-4-pentylbenzamide |
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 | | NVB | | Name: | N-methyl-4-[3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl]benzenesulfonamide | | Formula: | C24 H23 N3 O5 S | | SMILES: | CN[S](=O)(=O)c1ccc(cc1)c2cccc3ncc(nc23)c4cc(OC)c(OC)c(OC)c4 | | InChi: | InChI=1S/C24H23N3O5S/c1-25-33(28,29)17-10-8-15(9-11-17)18-6-5-7-19-23(18)27-20(14-26-19)16-12-21(30-2)24(32-4)22(13-16)31-3/h5-14,25H,1-4H3 | | Definition date: | 2010-02-17 | | Last modified: | 2011-06-04 | | Identifier: | N-methyl-4-[3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl]benzenesulfonamide |
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 | | A31 | | Name: | N-{15-oxo-19-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]-4,7,10-trioxa-14-azanonadec-1-yl}-N'-(8-{[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-ylcarbonyl]amino}octyl)pentanediamide | | Formula: | C44 H76 N6 O8 S | | SMILES: | O=C1NC2C(SCC2N1)CCCCC(=O)NCCCOCCOCCOCCCNC(=O)CCCC(=O)NCCCCCCCCNC(=O)C35CC4CC(C3)CC(C4)C5 | | InChi: | InChI=1S/C44H76N6O8S/c51-38(13-6-5-12-37-41-36(32-59-37)49-43(55)50-41)46-18-10-20-56-22-24-58-25-23-57-21-11-19-47-40(53)15-9-14-39(52)45-16-7-3-1-2-4-8-17-48-42(54)44-29-33-26-34(30-44)28-35(27-33)31-44/h33-37,41H,1-32H2,(H,45,52)(H,46,51)(H,47,53)(H,48,54)(H2,49,50,55)/t33-,34+,35-,36-,37-,41-,44-/m0/s1 | | Definition date: | 2010-08-19 | | Last modified: | 2011-06-04 | | Identifier: | N-{15-oxo-19-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]-4,7,10-trioxa-14-azanonadec-1-yl}-N'-(8-{[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-ylcarbonyl]amino}octyl)pentanediamide |
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 | | NVC | | Name: | N-[(2R)-2-{[(2S)-2-(1,3-benzoxazol-2-yl)pyrrolidin-1-yl]carbonyl}hexyl]-N-hydroxyformamide | | Formula: | C19 H25 N3 O4 | | SMILES: | O=CN(O)CC(C(=O)N3CCCC3c1nc2ccccc2o1)CCCC | | InChi: | InChI=1S/C19H25N3O4/c1-2-3-7-14(12-21(25)13-23)19(24)22-11-6-9-16(22)18-20-15-8-4-5-10-17(15)26-18/h4-5,8,10,13-14,16,25H,2-3,6-7,9,11-12H2,1H3/t14-,16+/m1/s1 | | Definition date: | 2008-08-15 | | Last modified: | 2011-06-04 | | Identifier: | N-[(2R)-2-{[(2S)-2-(1,3-benzoxazol-2-yl)pyrrolidin-1-yl]carbonyl}hexyl]-N-hydroxyformamide |
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 | | A33 | | Name: | 2-(carboxymethyl)-D-aspartic acid | | Formula: | C6 H9 N O6 | | SMILES: | O=C(O)CC(N)(C(=O)O)CC(=O)O | | InChi: | InChI=1S/C6H9NO6/c7-6(5(12)13,1-3(8)9)2-4(10)11/h1-2,7H2,(H,8,9)(H,10,11)(H,12,13) | | Definition date: | 2007-10-25 | | Last modified: | 2011-06-04 | | Identifier: | 2-(carboxymethyl)-D-aspartic acid |
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 | | NVG | | Name: | 4-AMINO-1-(5-{[3-(1H-BENZIMIDAZOL-2-YL)PROPANOYL]AMINO}-5-DEOXY-ALPHA-L-LYXOFURANOSYL)PYRIMIDIN-2(1H)-ONE | | Formula: | C19 H22 N6 O5 | | SMILES: | O=C1N=C(N)C=CN1C2OC(C(O)C2O)CNC(=O)CCc3nc4ccccc4n3 | | InChi: | InChI=1S/C19H22N6O5/c20-13-7-8-25(19(29)24-13)18-17(28)16(27)12(30-18)9-21-15(26)6-5-14-22-10-3-1-2-4-11(10)23-14/h1-4,7-8,12,16-18,27-28H,5-6,9H2,(H,21,26)(H,22,23)(H2,20,24,29)/t12-,16+,17+,18+/m0/s1 | | Definition date: | 2007-06-07 | | Last modified: | 2011-06-04 | | Identifier: | 4-amino-1-(5-{[3-(1H-benzimidazol-2-yl)propanoyl]amino}-5-deoxy-alpha-L-lyxofuranosyl)pyrimidin-2(1H)-one |
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 | | A37 | | Name: | 2,5-DICHLORO-N-(5-CHLORO-1,3-BENZOXAZOL-2-YL)BENZENESULFONAMIDE | | Formula: | C13 H7 Cl3 N2 O3 S | | SMILES: | Clc1cc(c(Cl)cc1)S(=O)(=O)Nc2nc3cc(Cl)ccc3o2 | | InChi: | InChI=1S/C13H7Cl3N2O3S/c14-7-2-4-11-10(5-7)17-13(21-11)18-22(19,20)12-6-8(15)1-3-9(12)16/h1-6H,(H,17,18) | | Definition date: | 2006-01-25 | | Last modified: | 2011-06-04 | | Identifier: | 2,5-dichloro-N-(5-chloro-1,3-benzoxazol-2-yl)benzenesulfonamide |
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 | | NVI | | Name: | 1-VINYLIMIDAZOLE | | Formula: | C5 H7 N2 | | SMILES: | C=C[n+]1ccnc1 | | InChi: | InChI=1S/C5H6N2/c1-2-7-4-3-6-5-7/h2-5H,1H2/p+1 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | 3-ethenyl-1H-imidazol-3-ium |
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 | | A38 | | Name: | 8-OXY DEOXYADENOSINE-5'-MONOPHOSPHATE | | Formula: | C10 H14 N5 O7 P | | SMILES: | O=C2Nc1c(ncnc1N2C3OC(C(O)C3)COP(=O)(O)O)N | | InChi: | InChI=1S/C10H14N5O7P/c11-8-7-9(13-3-12-8)15(10(17)14-7)6-1-4(16)5(22-6)2-21-23(18,19)20/h3-6,16H,1-2H2,(H,14,17)(H2,11,12,13)(H2,18,19,20)/t4-,5+,6+/m0/s1 | | Definition date: | 1996-06-10 | | Last modified: | 2011-06-04 | | Identifier: | 2'-deoxy-8-oxoadenosine 5'-(dihydrogen phosphate) |
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 | | A3A | | Name: | 2'DEOXY-ALPHA-ANOMERIC-ADENOSINE-5'-PHOSPHATE | | Formula: | C10 H14 N5 O6 P | | SMILES: | O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)CC3O | | InChi: | InChI=1S/C10H14N5O6P/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(21-7)2-20-22(17,18)19/h3-7,16H,1-2H2,(H2,11,12,13)(H2,17,18,19)/t5-,6+,7-/m0/s1 | | Definition date: | 2004-01-13 | | Last modified: | 2011-06-04 | | Identifier: | 2'-deoxy-5'-adenylic acid |
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 | | A3F | | Name: | 3-[6-amino-5-(3,4,5-trimethoxyphenyl)pyridin-3-yl]phenol | | Formula: | C20 H20 N2 O4 | | SMILES: | Oc3cccc(c2cnc(N)c(c1cc(OC)c(OC)c(OC)c1)c2)c3 | | InChi: | InChI=1S/C20H20N2O4/c1-24-17-9-13(10-18(25-2)19(17)26-3)16-8-14(11-22-20(16)21)12-5-4-6-15(23)7-12/h4-11,23H,1-3H3,(H2,21,22) | | Definition date: | 2010-05-12 | | Last modified: | 2011-06-04 | | Identifier: | 3-[6-amino-5-(3,4,5-trimethoxyphenyl)pyridin-3-yl]phenol |
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 | | A3G | | Name: | 3'-deoxy-3'-(glycylamino)adenosine | | Formula: | C12 H17 N7 O4 | | SMILES: | O=C(NC3C(OC(n2cnc1c(ncnc12)N)C3O)CO)CN | | InChi: | InChI=1S/C12H17N7O4/c13-1-6(21)18-7-5(2-20)23-12(9(7)22)19-4-17-8-10(14)15-3-16-11(8)19/h3-5,7,9,12,20,22H,1-2,13H2,(H,18,21)(H2,14,15,16)/t5-,7-,9-,12-/m1/s1 | | Definition date: | 2010-11-18 | | Last modified: | 2011-06-04 | | Identifier: | 3'-deoxy-3'-(glycylamino)adenosine |
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 | | A3M | | Name: | 2-AMINO-3-METHYL-1-PYRROLIDIN-1-YL-BUTAN-1-ONE | | Formula: | C9 H18 N2 O | | SMILES: | O=C(N1CCCC1)C(N)C(C)C | | InChi: | InChI=1S/C9H18N2O/c1-7(2)8(10)9(12)11-5-3-4-6-11/h7-8H,3-6,10H2,1-2H3/t8-/m0/s1 | | Definition date: | 2002-10-21 | | Last modified: | 2011-06-04 | | Identifier: | (2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-amine |
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 | | NW1 | | Name: | 6-CYCLOHEXYLMETHYLOXY-5-NITROSO-PYRIMIDINE-2,4-DIAMINE | | Formula: | C11 H17 N5 O2 | | SMILES: | O=Nc2c(OCC1CCCCC1)nc(nc2N)N | | InChi: | InChI=1S/C11H17N5O2/c12-9-8(16-17)10(15-11(13)14-9)18-6-7-4-2-1-3-5-7/h7H,1-6H2,(H4,12,13,14,15) | | Definition date: | 2000-05-11 | | Last modified: | 2011-06-04 | | Identifier: | 6-(cyclohexylmethoxy)-5-nitrosopyrimidine-2,4-diamine |
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 | | A3T | | Name: | 3'-deoxy-3'-(L-threonylamino)adenosine | | Formula: | C14 H21 N7 O5 | | SMILES: | O=C(NC3C(OC(n2cnc1c(ncnc12)N)C3O)CO)C(N)C(O)C | | InChi: | InChI=1S/C14H21N7O5/c1-5(23)7(15)13(25)20-8-6(2-22)26-14(10(8)24)21-4-19-9-11(16)17-3-18-12(9)21/h3-8,10,14,22-24H,2,15H2,1H3,(H,20,25)(H2,16,17,18)/t5-,6-,7+,8-,10-,14-/m1/s1 | | Definition date: | 2010-11-18 | | Last modified: | 2011-06-04 | | Identifier: | 3'-deoxy-3'-(L-threonylamino)adenosine |
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 | | A40 | | Name: | N2-METHYL 2'-DEOXYADENOSINE 5'-MONOPHOSPHATE | | Formula: | C11 H17 N6 O6 P | | SMILES: | O=P(O)(O)OCC3OC(n2cnc1c(nc(nc12)NC)N)CC3O | | InChi: | InChI=1S/C11H17N6O6P/c1-13-11-15-9(12)8-10(16-11)17(4-14-8)7-2-5(18)6(23-7)3-22-24(19,20)21/h4-7,18H,2-3H2,1H3,(H2,19,20,21)(H3,12,13,15,16)/t5-,6+,7+/m0/s1 | | Definition date: | 1995-01-15 | | Last modified: | 2011-06-04 | | Identifier: | 2'-deoxy-2-(methylamino)adenosine 5'-(dihydrogen phosphate) |
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 | | A41 | | Name: | 5-METHYL-2-[(PHENYLSULFONYL)AMINO]BENZOIC ACID | | Formula: | C14 H13 N O4 S | | SMILES: | O=S(=O)(Nc1ccc(cc1C(=O)O)C)c2ccccc2 | | InChi: | InChI=1S/C14H13NO4S/c1-10-7-8-13(12(9-10)14(16)17)15-20(18,19)11-5-3-2-4-6-11/h2-9,15H,1H3,(H,16,17) | | Definition date: | 2005-03-04 | | Last modified: | 2011-06-04 | | Identifier: | 5-methyl-2-[(phenylsulfonyl)amino]benzoic acid |
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 | | A42 | | Name: | 1-(5-CHLORO-2,4-DIMETHOXYPHENYL)-3-(5-CYANOPYRAZIN-2-YL)UREA | | Formula: | C14 H12 Cl N5 O3 | | SMILES: | N#Cc1ncc(nc1)NC(=O)Nc2cc(Cl)c(OC)cc2OC | | InChi: | InChI=1S/C14H12ClN5O3/c1-22-11-4-12(23-2)10(3-9(11)15)19-14(21)20-13-7-17-8(5-16)6-18-13/h3-4,6-7H,1-2H3,(H2,18,19,20,21) | | Definition date: | 2007-04-25 | | Last modified: | 2011-06-04 | | Identifier: | 1-(5-chloro-2,4-dimethoxyphenyl)-3-(5-cyanopyrazin-2-yl)urea |
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