| 287 | Name: | 4-{[5-(methoxycarbamoyl)-2-methylphenyl]amino}-5-methyl-N-[(1S)-1-phenylethyl]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide | Formula: | C25 H26 N6 O3 | SMILES: | O=C(NOC)c1cc(c(cc1)C)Nc2ncnn3c2c(c(c3)C(=O)NC(c4ccccc4)C)C | InChi: | InChI=1S/C25H26N6O3/c1-15-10-11-19(24(32)30-34-4)12-21(15)29-23-22-16(2)20(13-31(22)27-14-26-23)25(33)28-17(3)18-8-6-5-7-9-18/h5-14,17H,1-4H3,(H,28,33)(H,30,32)(H,26,27,29)/t17-/m0/s1 | Definition date: | 2007-10-25 | Last modified: | 2011-06-04 | Identifier: | 4-{[5-(methoxycarbamoyl)-2-methylphenyl]amino}-5-methyl-N-[(1S)-1-phenylethyl]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide |
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| 294 | Name: | N-hydroxy-4-({4-[4-(trifluoromethyl)phenoxy]phenyl}sulfonyl)tetrahydro-2H-pyran-4-carboxamide | Formula: | C19 H18 F3 N O6 S | SMILES: | O=S(=O)(c2ccc(Oc1ccc(cc1)C(F)(F)F)cc2)C3(C(=O)NO)CCOCC3 | InChi: | InChI=1S/C19H18F3NO6S/c20-19(21,22)13-1-3-14(4-2-13)29-15-5-7-16(8-6-15)30(26,27)18(17(24)23-25)9-11-28-12-10-18/h1-8,25H,9-12H2,(H,23,24) | Definition date: | 2007-11-14 | Last modified: | 2011-06-04 | Identifier: | N-hydroxy-4-({4-[4-(trifluoromethyl)phenoxy]phenyl}sulfonyl)tetrahydro-2H-pyran-4-carboxamide |
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| 297 | Name: | dodecane-1,12-diamine | Formula: | C12 H28 N2 | SMILES: | NCCCCCCCCCCCCN | InChi: | InChI=1S/C12H28N2/c13-11-9-7-5-3-1-2-4-6-8-10-12-14/h1-14H2 | Definition date: | 2007-12-05 | Last modified: | 2011-06-04 | Identifier: | dodecane-1,12-diamine |
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| 298 | Name: | N-[(1E,2Z)-but-2-en-1-ylidene]-N'-[(2E)-but-2-en-1-ylidene]butane-1,4-diamine | Formula: | C12 H20 N2 | SMILES: | N(=CC=CC)CCCC/N=C/C=CC | InChi: | InChI=1S/C12H20N2/c1-3-5-9-13-11-7-8-12-14-10-6-4-2/h3-6,9-10H,7-8,11-12H2,1-2H3/b5-3-,6-4+,13-9+,14-10? | Definition date: | 2007-12-05 | Last modified: | 2011-06-04 | Identifier: | N-[(1E,2Z)-but-2-en-1-ylidene]-N'-[(1Z,2E)-but-2-en-1-ylidene]butane-1,4-diamine |
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| 2A5 | Name: | 2'-deoxy-2'-(2-hydroxyethyl)adenosine 5'-(trihydrogen diphosphate) | Formula: | C12 H19 N5 O10 P2 | SMILES: | O=P(O)(OP(=O)(O)O)OCC3OC(n2cnc1c(ncnc12)N)C(C3O)CCO | InChi: | InChI=1S/C12H19N5O10P2/c13-10-8-11(15-4-14-10)17(5-16-8)12-6(1-2-18)9(19)7(26-12)3-25-29(23,24)27-28(20,21)22/h4-7,9,12,18-19H,1-3H2,(H,23,24)(H2,13,14,15)(H2,20,21,22)/t6-,7-,9+,12-/m1/s1 | Definition date: | 2008-05-02 | Last modified: | 2011-06-04 | Identifier: | 2'-deoxy-2'-(2-hydroxyethyl)adenosine 5'-(trihydrogen diphosphate) |
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| 2AD | Name: | 2'-AMINO-2'-DEOXYADENOSINE | Formula: | C10 H14 N6 O3 | SMILES: | n2c1c(ncnc1n(c2)C3OC(C(O)C3N)CO)N | InChi: | InChI=1S/C10H14N6O3/c11-5-7(18)4(1-17)19-10(5)16-3-15-6-8(12)13-2-14-9(6)16/h2-5,7,10,17-18H,1,11H2,(H2,12,13,14)/t4-,5-,7-,10-/m1/s1 | Definition date: | 2003-02-04 | Last modified: | 2011-06-04 | Identifier: | 2'-amino-2'-deoxyadenosine |
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| 2AF | Name: | 2-AMINOPHENOL | Formula: | C6 H7 N O | SMILES: | Oc1ccccc1N | InChi: | InChI=1S/C6H7NO/c7-5-3-1-2-4-6(5)8/h1-4,8H,7H2 | Definition date: | 2002-03-19 | Last modified: | 2011-06-04 | Identifier: | 2-aminophenol |
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| 2AI | Name: | 1H-imidazol-2-amine | Formula: | C3 H5 N3 | SMILES: | n1ccnc1N | InChi: | InChI=1S/C3H5N3/c4-3-5-1-2-6-3/h1-2H,(H3,4,5,6) | Definition date: | 2007-11-07 | Last modified: | 2011-06-04 | Identifier: | 1H-imidazol-2-amine |
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| 2AM | Name: | ADENOSINE-2'-MONOPHOSPHATE | Formula: | C10 H14 N5 O7 P | SMILES: | O=P(O)(O)OC3C(O)C(OC3n2cnc1c(ncnc12)N)CO | InChi: | InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(22-23(18,19)20)6(17)4(1-16)21-10/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1 | Definition date: | 1999-07-08 | Last modified: | 2011-06-04 | Identifier: | 2'-adenylic acid |
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| 2AN | Name: | 8-ANILINO-1-NAPHTHALENE SULFONATE | Formula: | C16 H13 N O3 S | SMILES: | O=S(=O)(O)c3cccc2cccc(Nc1ccccc1)c23 | InChi: | InChI=1S/C16H13NO3S/c18-21(19,20)15-11-5-7-12-6-4-10-14(16(12)15)17-13-8-2-1-3-9-13/h1-11,17H,(H,18,19,20) | Definition date: | 1999-07-08 | Last modified: | 2011-06-04 | Identifier: | 8-(phenylamino)naphthalene-1-sulfonic acid |
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| 2AP | Name: | 2-AMINOPYRIDINE | Formula: | C5 H7 N2 | SMILES: | Nc1[nH+]cccc1 | InChi: | InChI=1S/C5H6N2/c6-5-3-1-2-4-7-5/h1-4H,(H2,6,7)/p+1 | Definition date: | 1999-07-08 | Last modified: | 2011-06-04 | Identifier: | 2-aminopyridinium |
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| 2AT | Name: | 2'-O-ALLYL THYMIDINE-5'-MONOPHOSPHATE | Formula: | C13 H19 N2 O9 P | SMILES: | O=C1NC(=O)N(C=C1C)C2OC(C(O)C2OCC=C)COP(=O)(O)O | InChi: | InChI=1S/C13H19N2O9P/c1-3-4-22-10-9(16)8(6-23-25(19,20)21)24-12(10)15-5-7(2)11(17)14-13(15)18/h3,5,8-10,12,16H,1,4,6H2,2H3,(H,14,17,18)(H2,19,20,21)/t8-,9-,10-,12-/m1/s1 | Definition date: | 2004-12-17 | Last modified: | 2011-06-04 | Identifier: | 5-methyl-2'-O-prop-2-en-1-yluridine 5'-(dihydrogen phosphate) |
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| 2AU | Name: | 2'-AMINOURIDINE | Formula: | C9 H14 N3 O8 P | SMILES: | O=C1NC(=O)N(C=C1)C2OC(C(O)C2N)COP(=O)(O)O | InChi: | InChI=1S/C9H14N3O8P/c10-6-7(14)4(3-19-21(16,17)18)20-8(6)12-2-1-5(13)11-9(12)15/h1-2,4,6-8,14H,3,10H2,(H,11,13,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1 | Definition date: | 2005-04-26 | Last modified: | 2011-06-04 | Identifier: | 2'-amino-2'-deoxyuridine 5'-(dihydrogen phosphate) |
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| 2BB | Name: | (2S,3R)-N~4~-[(1S)-1-(dimethylcarbamoyl)-2,2-dimethylpropyl]-N~1~,2-dihydroxy-3-(2-methylpropyl)butanediamide | Formula: | C16 H31 N3 O5 | SMILES: | O=C(NO)C(O)C(C(=O)NC(C(=O)N(C)C)C(C)(C)C)CC(C)C | InChi: | InChI=1S/C16H31N3O5/c1-9(2)8-10(11(20)14(22)18-24)13(21)17-12(16(3,4)5)15(23)19(6)7/h9-12,20,24H,8H2,1-7H3,(H,17,21)(H,18,22)/t10-,11+,12-/m1/s1 | Definition date: | 2009-10-22 | Last modified: | 2011-06-04 | Identifier: | (2S,3R)-N~4~-[(2S)-1-(dimethylamino)-3,3-dimethyl-1-oxobutan-2-yl]-N~1~,2-dihydroxy-3-(2-methylpropyl)butanediamide |
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| 2BC | Name: | N'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]naphthalene-2-carbohydrazide | Formula: | C18 H12 Br2 N2 O3 | SMILES: | Brc1cc(c(O)c(Br)c1O)C=NNC(=O)c3cc2ccccc2cc3 | InChi: | InChI=1S/C18H12Br2N2O3/c19-14-8-13(16(23)15(20)17(14)24)9-21-22-18(25)12-6-5-10-3-1-2-4-11(10)7-12/h1-9,23-24H,(H,22,25)/b21-9+ | Definition date: | 2008-07-16 | Last modified: | 2011-06-04 | Identifier: | N'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]naphthalene-2-carbohydrazide |
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| 2BD | Name: | N1-(1-HYDROXY-3-BUTEN-2(S)-YL)-2'-DEOXYINOSINE MONO PHOSPHORIC ACID | Formula: | C14 H19 N4 O8 P | SMILES: | O=C1c2ncn(c2N=CN1C(C=C)CO)C3OC(C(O)C3)COP(=O)(O)O | InChi: | InChI=1S/C14H19N4O8P/c1-2-8(4-19)17-7-16-13-12(14(17)21)15-6-18(13)11-3-9(20)10(26-11)5-25-27(22,23)24/h2,6-11,19-20H,1,3-5H2,(H2,22,23,24)/t8-,9-,10+,11+/m0/s1 | Definition date: | 2004-08-02 | Last modified: | 2011-06-04 | Identifier: | 2'-deoxy-1-[(1S)-1-(hydroxymethyl)prop-2-en-1-yl]inosine 5'-(dihydrogen phosphate) |
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| 2BE | Name: | 4-chloro-N'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]benzohydrazide | Formula: | C14 H9 Br2 Cl N2 O3 | SMILES: | Brc1cc(c(O)c(Br)c1O)C=NNC(=O)c2ccc(Cl)cc2 | InChi: | InChI=1S/C14H9Br2ClN2O3/c15-10-5-8(12(20)11(16)13(10)21)6-18-19-14(22)7-1-3-9(17)4-2-7/h1-6,20-21H,(H,19,22)/b18-6+ | Definition date: | 2008-07-16 | Last modified: | 2011-06-04 | Identifier: | 4-chloro-N'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]benzohydrazide |
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| 2BF | Name: | ALPHA-BENZYL-AMINOBENZYL-PHOSPHONIC ACID | Formula: | C14 H16 N O3 P | SMILES: | O=P(O)(O)C(NCc1ccccc1)c2ccccc2 | InChi: | InChI=1S/C14H16NO3P/c16-19(17,18)14(13-9-5-2-6-10-13)15-11-12-7-3-1-4-8-12/h1-10,14-15H,11H2,(H2,16,17,18)/t14-/m1/s1 | Definition date: | 2002-12-10 | Last modified: | 2011-06-04 | Identifier: | [(R)-(benzylamino)(phenyl)methyl]phosphonic acid |
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| 2BM | Name: | DIBROMOMETHANE | Formula: | C H2 Br2 | SMILES: | BrCBr | InChi: | InChI=1S/CH2Br2/c2-1-3/h1H2 | Definition date: | 2000-10-13 | Last modified: | 2011-06-04 | Identifier: | dibromomethane |
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| 2BU | Name: | (2S,3S)-N6-(2,3,4-TRIHYDROXYBUTYL)-2'-DEOXYADENOSINE MONO PHOSPHORIC ACID | Formula: | C14 H22 N5 O9 P | SMILES: | O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)NCC(O)C(O)CO)CC3O | InChi: | InChI=1S/C14H22N5O9P/c20-3-9(23)8(22)2-15-13-12-14(17-5-16-13)19(6-18-12)11-1-7(21)10(28-11)4-27-29(24,25)26/h5-11,20-23H,1-4H2,(H,15,16,17)(H2,24,25,26)/t7-,8+,9-,10+,11+/m0/s1 | Definition date: | 2004-08-02 | Last modified: | 2011-06-04 | Identifier: | 2'-deoxy-N-[(2R,3S)-2,3,4-trihydroxybutyl]adenosine 5'-(dihydrogen phosphate) |
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| 2C2 | Name: | (2S)-2-HYDROXY-2H-CHROMENE-2-CARBOXYLIC ACID | Formula: | C10 H8 O4 | SMILES: | O=C(O)C2(O)Oc1ccccc1C=C2 | InChi: | InChI=1S/C10H8O4/c11-9(12)10(13)6-5-7-3-1-2-4-8(7)14-10/h1-6,13H,(H,11,12)/t10-/m0/s1 | Definition date: | 2006-10-26 | Last modified: | 2011-06-04 | Identifier: | (2S)-2-hydroxy-2H-chromene-2-carboxylic acid |
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| 2CE | Name: | N-[2-(2-CARBAMOYLMETHOXY-ETHOXY)-ETHYL]-2-[2-(4-CHLORO-PHENYLSULFANYL)-ACETYLAMINO]-3-(4-GUANIDINO-PHENYL)-PROPIONAMIDE | Formula: | C24 H31 Cl N6 O5 S | SMILES: | Clc2ccc(SCC(=O)NC(C(=O)NCCOCCOCC(=O)N)Cc1ccc(NC(=[N@H])N)cc1)cc2 | InChi: | InChI=1S/C24H31ClN6O5S/c25-17-3-7-19(8-4-17)37-15-22(33)31-20(13-16-1-5-18(6-2-16)30-24(27)28)23(34)29-9-10-35-11-12-36-14-21(26)32/h1-8,20H,9-15H2,(H2,26,32)(H,29,34)(H,31,33)(H4,27,28,30)/t20-/m0/s1 | Definition date: | 2005-07-04 | Last modified: | 2011-06-04 | Identifier: | N-{2-[2-(2-amino-2-oxoethoxy)ethoxy]ethyl}-4-carbamimidamido-Nalpha-{[(4-chlorophenyl)sulfanyl]acetyl}-L-phenylalaninamide |
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| 2CH | Name: | 2-CHLOROPHENOL | Formula: | C6 H5 Cl O | SMILES: | Clc1ccccc1O | InChi: | InChI=1S/C6H5ClO/c7-5-3-1-2-4-6(5)8/h1-4,8H | Definition date: | 2004-11-04 | Last modified: | 2011-06-04 | Identifier: | 2-chlorophenol |
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| 2CL | Name: | (2,6-DICHLOROPHENYL)ACETIC ACID | Formula: | C8 H6 Cl2 O2 | SMILES: | Clc1cccc(Cl)c1CC(=O)O | InChi: | InChI=1S/C8H6Cl2O2/c9-6-2-1-3-7(10)5(6)4-8(11)12/h1-3H,4H2,(H,11,12) | Definition date: | 2006-10-17 | Last modified: | 2011-06-04 | Identifier: | (2,6-dichlorophenyl)acetic acid |
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| 2CP | Name: | 2-CARBOXYPROPYL-COENZYME A | Formula: | C25 H42 N7 O18 P3 S | SMILES: | O=C(O)C(C)CSCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O | InChi: | InChI=1S/C25H42N7O18P3S/c1-13(24(37)38)9-54-7-6-27-15(33)4-5-28-22(36)19(35)25(2,3)10-47-53(44,45)50-52(42,43)46-8-14-18(49-51(39,40)41)17(34)23(48-14)32-12-31-16-20(26)29-11-30-21(16)32/h11-14,17-19,23,34-35H,4-10H2,1-3H3,(H,27,33)(H,28,36)(H,37,38)(H,42,43)(H,44,45)(H2,26,29,30)(H2,39,40,41)/t13-,14+,17+,18+,19-,23+/m0/s1 | Definition date: | 1999-07-08 | Last modified: | 2011-06-04 | Identifier: | (3S,5R,9R,20R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8,20-trimethyl-10,14-dioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphahenicosan-21-oic acid 3,5-dioxide (non-preferred name) |
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