 | | SG1 | | Name: | 3-NITRO-4-(2-OXO-PYRROLIDIN-1-YL)-BENZENESULFONAMIDE | | Formula: | C10 H11 N3 O5 S | | SMILES: | O=S(=O)(c1cc(c(cc1)N2C(=O)CCC2)[N+]([O-])=O)N | | InChi: | InChI=1S/C10H11N3O5S/c11-19(17,18)7-3-4-8(9(6-7)13(15)16)12-5-1-2-10(12)14/h3-4,6H,1-2,5H2,(H2,11,17,18) | | Definition date: | 2002-02-21 | | Last modified: | 2011-06-04 | | Identifier: | 3-nitro-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide |
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 | | C75 | | Name: | 4-{5-[(Z)-(2-IMINO-4-OXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]-2-FURYL}-N-METHYLBENZENESULFONAMIDE | | Formula: | C15 H13 N3 O4 S2 | | SMILES: | O=C1C(SC(=[N@H])N1)=Cc3oc(c2ccc(cc2)S(=O)(=O)NC)cc3 | | InChi: | InChI=1S/C15H13N3O4S2/c1-17-24(20,21)11-5-2-9(3-6-11)12-7-4-10(22-12)8-13-14(19)18-15(16)23-13/h2-8,17H,1H3,(H2,16,18,19)/b13-8- | | Definition date: | 2007-04-27 | | Last modified: | 2011-06-04 | | Identifier: | 4-(5-{(Z)-[(2E)-2-imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)-N-methylbenzenesulfonamide |
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 | | MCA | | Name: | METHYLMALONYL-COENZYME A | | Formula: | C25 H40 N7 O19 P3 S | | SMILES: | O=C(O)C(C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O)C | | InChi: | InChI=1S/C25H40N7O19P3S/c1-12(23(37)38)24(39)55-7-6-27-14(33)4-5-28-21(36)18(35)25(2,3)9-48-54(45,46)51-53(43,44)47-8-13-17(50-52(40,41)42)16(34)22(49-13)32-11-31-15-19(26)29-10-30-20(15)32/h10-13,16-18,22,34-35H,4-9H2,1-3H3,(H,27,33)(H,28,36)(H,37,38)(H,43,44)(H,45,46)(H2,26,29,30)(H2,40,41,42)/t12-,13-,16-,17-,18+,22-/m1/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-10,14,19-trioxo-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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 | | TAB | | Name: | ACETIC ACID N-[2-CHLORO-5-[6-ETHYL-2,4-DIAMINO-PYRIMID-5-YL]-PHENYL]-[BENZYL-TRIAZEN-3-YL]ETHYL ESTER | | Formula: | C23 H26 Cl N7 O2 | | SMILES: | Clc3ccc(c1c(nc(nc1CC)N)N)cc3/N=N/N(Cc2ccccc2)CCOC(=O)C | | InChi: | InChI=1S/C23H26ClN7O2/c1-3-19-21(22(25)28-23(26)27-19)17-9-10-18(24)20(13-17)29-30-31(11-12-33-15(2)32)14-16-7-5-4-6-8-16/h4-10,13H,3,11-12,14H2,1-2H3,(H4,25,26,27,28)/b30-29+ | | Definition date: | 1999-10-28 | | Last modified: | 2011-06-04 | | Identifier: | 2-{(2E)-1-benzyl-3-[2-chloro-5-(2,4-diamino-6-ethylpyrimidin-5-yl)phenyl]triaz-2-en-1-yl}ethyl acetate |
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 | | P9B | | Name: | 4-{[(pentafluorophenyl)carbamoyl]amino}benzenesulfonamide | | Formula: | C13 H8 F5 N3 O3 S | | SMILES: | O=S(=O)(N)c2ccc(NC(=O)Nc1c(F)c(F)c(F)c(F)c1F)cc2 | | InChi: | InChI=1S/C13H8F5N3O3S/c14-7-8(15)10(17)12(11(18)9(7)16)21-13(22)20-5-1-3-6(4-2-5)25(19,23)24/h1-4H,(H2,19,23,24)(H2,20,21,22) | | Definition date: | 2010-05-26 | | Last modified: | 2011-06-04 | | Identifier: | 4-{[(pentafluorophenyl)carbamoyl]amino}benzenesulfonamide |
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 | | KBT | | Name: | 3-{[3-butyl-5-(1-methylethyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl]carbonyl}-5-methylbenzonitrile | | Formula: | C20 H23 N3 O3 | | SMILES: | CCCCN1C(=O)NC(=O)C(=C1C(=O)c2cc(C)cc(c2)C#N)C(C)C | | InChi: | InChI=1S/C20H23N3O3/c1-5-6-7-23-17(16(12(2)3)19(25)22-20(23)26)18(24)15-9-13(4)8-14(10-15)11-21/h8-10,12H,5-7H2,1-4H3,(H,22,25,26) | | Definition date: | 2010-01-15 | | Last modified: | 2011-06-04 | | Identifier: | 3-(3-butyl-2,6-dioxo-5-propan-2-yl-pyrimidin-4-yl)carbonyl-5-methyl-benzenecarbonitrile |
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 | | JGZ | | Name: | 4-(4-{[4-(4-cyano-2,6-dimethylphenoxy)pyrimidin-2-yl]amino}piperidin-1-yl)benzenesulfonamide | | Formula: | C24 H26 N6 O3 S | | SMILES: | N#Cc4cc(c(Oc1nc(ncc1)NC3CCN(c2ccc(cc2)S(=O)(=O)N)CC3)c(c4)C)C | | InChi: | InChI=1S/C24H26N6O3S/c1-16-13-18(15-25)14-17(2)23(16)33-22-7-10-27-24(29-22)28-19-8-11-30(12-9-19)20-3-5-21(6-4-20)34(26,31)32/h3-7,10,13-14,19H,8-9,11-12H2,1-2H3,(H2,26,31,32)(H,27,28,29) | | Definition date: | 2010-06-08 | | Last modified: | 2011-06-04 | | Identifier: | 4-(4-{[4-(4-cyano-2,6-dimethylphenoxy)pyrimidin-2-yl]amino}piperidin-1-yl)benzenesulfonamide |
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 | | KR1 | | Name: | 3-({3-[(2-amino-6-fluoropyridin-4-yl)methyl]-5-(1-methylethyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl}carbonyl)-5-methylbenzonitrile | | Formula: | C22 H20 F N5 O3 | | SMILES: | CC(C)C1=C(N(Cc2cc(N)nc(F)c2)C(=O)NC1=O)C(=O)c3cc(C)cc(c3)C#N | | InChi: | InChI=1S/C22H20FN5O3/c1-11(2)18-19(20(29)15-5-12(3)4-13(6-15)9-24)28(22(31)27-21(18)30)10-14-7-16(23)26-17(25)8-14/h4-8,11H,10H2,1-3H3,(H2,25,26)(H,27,30,31) | | Definition date: | 2010-01-13 | | Last modified: | 2011-06-04 | | Identifier: | 3-[3-[(2-azanyl-6-fluoro-pyridin-4-yl)methyl]-2,6-dioxo-5-propan-2-yl-pyrimidin-4-yl]carbonyl-5-methyl-benzenecarbonitrile |
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 | | MSB | | Name: | 1-METHYLOXY-4-SULFONE-BENZENE | | Formula: | C7 H8 O3 S | | SMILES: | 4-(dioxidosulfanyl)phenyl methyl ether | | InChi: | InChI=1S/C7H8O3S/c1-10-6-2-4-7(5-3-6)11(8)9/h2-5,11H,1H3 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | 1-(dioxidosulfanyl)-4-methoxybenzene |
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 | | C85 | | Name: | 4-{5-[(Z)-(2-IMINO-4-OXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]FURAN-2-YL}BENZENESULFONAMIDE | | Formula: | C14 H11 N3 O4 S2 | | SMILES: | O=C1C(SC(=[N@H])N1)=Cc3oc(c2ccc(cc2)S(=O)(=O)N)cc3 | | InChi: | InChI=1S/C14H11N3O4S2/c15-14-17-13(18)12(22-14)7-9-3-6-11(21-9)8-1-4-10(5-2-8)23(16,19)20/h1-7H,(H2,15,17,18)(H2,16,19,20)/b12-7- | | Definition date: | 2007-04-27 | | Last modified: | 2011-06-04 | | Identifier: | 4-(5-{(Z)-[(2E)-2-imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)benzenesulfonamide |
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 | | MSJ | | Name: | N-{5-[(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)methoxy]-2-methylpentan-2-yl}benzenesulfonamide | | Formula: | C17 H23 N3 O5 S | | SMILES: | O=S(=O)(c1ccccc1)NC(C)(C)CCCOCN2C=CC(=O)NC2=O | | InChi: | InChI=1S/C17H23N3O5S/c1-17(2,19-26(23,24)14-7-4-3-5-8-14)10-6-12-25-13-20-11-9-15(21)18-16(20)22/h3-5,7-9,11,19H,6,10,12-13H2,1-2H3,(H,18,21,22) | | Definition date: | 2010-12-06 | | Last modified: | 2011-06-04 | | Identifier: | N-{5-[(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)methoxy]-2-methylpentan-2-yl}benzenesulfonamide |
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 | | KRP | | Name: | 3-methyl-5-{[5-(1-methylethyl)-2,6-dioxo-3-propyl-1,2,3,6-tetrahydropyrimidin-4-yl]carbonyl}benzonitrile | | Formula: | C19 H21 N3 O3 | | SMILES: | CCCN1C(=O)NC(=O)C(=C1C(=O)c2cc(C)cc(c2)C#N)C(C)C | | InChi: | InChI=1S/C19H21N3O3/c1-5-6-22-16(15(11(2)3)18(24)21-19(22)25)17(23)14-8-12(4)7-13(9-14)10-20/h7-9,11H,5-6H2,1-4H3,(H,21,24,25) | | Definition date: | 2010-01-15 | | Last modified: | 2011-06-04 | | Identifier: | 3-(2,6-dioxo-5-propan-2-yl-3-propyl-pyrimidin-4-yl)carbonyl-5-methyl-benzenecarbonitrile |
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 | | O04 | | Name: | (E)-4-((tetrahydro-2H-pyran-2-yloxyimino)methyl)benzimidamide | | Formula: | C13 H17 N3 O2 | | SMILES: | N(/OC1OCCCC1)=Cc2ccc(C(=[N@H])N)cc2 | | InChi: | InChI=1S/C13H17N3O2/c14-13(15)11-6-4-10(5-7-11)9-16-18-12-3-1-2-8-17-12/h4-7,9,12H,1-3,8H2,(H3,14,15)/b16-9+/t12-/m0/s1 | | Definition date: | 2009-10-08 | | Last modified: | 2011-06-04 | | Identifier: | 4-[(E)-{[(2S)-tetrahydro-2H-pyran-2-yloxy]imino}methyl]benzenecarboximidamide |
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 | | KRV | | Name: | 3-{[3-ethyl-5-(1-methylethyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl]carbonyl}-5-methylbenzonitrile | | Formula: | C18 H19 N3 O3 | | SMILES: | CCN1C(=O)NC(=O)C(=C1C(=O)c2cc(C)cc(c2)C#N)C(C)C | | InChi: | InChI=1S/C18H19N3O3/c1-5-21-15(14(10(2)3)17(23)20-18(21)24)16(22)13-7-11(4)6-12(8-13)9-19/h6-8,10H,5H2,1-4H3,(H,20,23,24) | | Definition date: | 2010-01-15 | | Last modified: | 2011-06-04 | | Identifier: | 3-(3-ethyl-2,6-dioxo-5-propan-2-yl-pyrimidin-4-yl)carbonyl-5-methyl-benzenecarbonitrile |
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 | | SHY | | Name: | 4-[(3AS,4R,7R,8AS,8BR)-2-(1,3-BENZODIOXOL-5-YLMETHYL)-7-HYDROXY-1,3-DIOXODECAHYDROPYRROLO[3,4-A]PYRROLIZIN-4-YL]BENZENECARBOXIMIDAMIDE | | Formula: | C24 H24 N4 O5 | | SMILES: | O=C1N(C(=O)C4C1C(c2ccc(C(=[N@H])N)cc2)N3CC(O)CC34)Cc5ccc6OCOc6c5 | | InChi: | InChI=1S/C24H24N4O5/c25-22(26)14-4-2-13(3-5-14)21-20-19(16-8-15(29)10-27(16)21)23(30)28(24(20)31)9-12-1-6-17-18(7-12)33-11-32-17/h1-7,15-16,19-21,29H,8-11H2,(H3,25,26)/t15-,16+,19+,20+,21+/m1/s1 | | Definition date: | 2004-05-24 | | Last modified: | 2011-06-04 | | Identifier: | 4-[(3aS,4R,7R,8aS,8bR)-2-(1,3-benzodioxol-5-ylmethyl)-7-hydroxy-1,3-dioxodecahydropyrrolo[3,4-a]pyrrolizin-4-yl]benzenecarboximidamide |
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 | | MTB | | Name: | 2-((3'-TERTBUTYL-4'-HYDROXYPHENYL)AZO)BENZOIC ACID | | Formula: | C17 H18 N2 O3 | | SMILES: | O=C(O)c2ccccc2/N=N/c1ccc(O)c(c1)C(C)(C)C | | InChi: | InChI=1S/C17H18N2O3/c1-17(2,3)13-10-11(8-9-15(13)20)18-19-14-7-5-4-6-12(14)16(21)22/h4-10,20H,1-3H3,(H,21,22)/b19-18+ | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | 2-[(E)-(3-tert-butyl-4-hydroxyphenyl)diazenyl]benzoic acid |
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 | | C92 | | Name: | N'-(6-aminopyridin-3-yl)-N-(2-cyclopentylethyl)-4-methyl-benzene-1,3-dicarboxamide | | Formula: | C21 H26 N4 O2 | | SMILES: | O=C(NCCC1CCCC1)c3cc(C(=O)Nc2cnc(N)cc2)c(cc3)C | | InChi: | InChI=1S/C21H26N4O2/c1-14-6-7-16(20(26)23-11-10-15-4-2-3-5-15)12-18(14)21(27)25-17-8-9-19(22)24-13-17/h6-9,12-13,15H,2-5,10-11H2,1H3,(H2,22,24)(H,23,26)(H,25,27) | | Definition date: | 2008-04-01 | | Last modified: | 2011-06-04 | | Identifier: | N~3~-(6-aminopyridin-3-yl)-N~1~-(2-cyclopentylethyl)-4-methylbenzene-1,3-dicarboxamide |
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 | | C94 | | Name: | 4-{5-[(Z)-(2-IMINO-4-OXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]FURAN-2-YL}-2-(TRIFLUOROMETHYL)BENZENESULFONAMIDE | | Formula: | C15 H10 F3 N3 O4 S2 | | SMILES: | O=C1C(SC(=[N@H])N1)=Cc3oc(c2ccc(c(c2)C(F)(F)F)S(=O)(=O)N)cc3 | | InChi: | InChI=1S/C15H10F3N3O4S2/c16-15(17,18)9-5-7(1-4-12(9)27(20,23)24)10-3-2-8(25-10)6-11-13(22)21-14(19)26-11/h1-6H,(H2,19,21,22)(H2,20,23,24)/b11-6- | | Definition date: | 2007-04-30 | | Last modified: | 2011-06-04 | | Identifier: | 4-(5-{(Z)-[(2E)-2-imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)-2-(trifluoromethyl)benzenesulfonamide |
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 | | C96 | | Name: | 4-{5-[(1Z)-1-(2-IMINO-4-OXO-1,3-THIAZOLIDIN-5-YLIDENE)ETHYL]-2-FURYL}BENZENESULFONAMIDE | | Formula: | C15 H13 N3 O4 S2 | | SMILES: | O=C1C(SC(=[N@H])N1)=C(c3oc(c2ccc(cc2)S(=O)(=O)N)cc3)C | | InChi: | InChI=1S/C15H13N3O4S2/c1-8(13-14(19)18-15(16)23-13)11-6-7-12(22-11)9-2-4-10(5-3-9)24(17,20)21/h2-7H,1H3,(H2,16,18,19)(H2,17,20,21)/b13-8- | | Definition date: | 2007-04-30 | | Last modified: | 2011-06-04 | | Identifier: | 4-(5-{(1Z)-1-[(2E)-2-imino-4-oxo-1,3-thiazolidin-5-ylidene]ethyl}furan-2-yl)benzenesulfonamide |
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 | | O13 | | Name: | (E)-4-((1-methylpiperidin-3-yloxyimino)methyl)benzimidamide | | Formula: | C14 H20 N4 O | | SMILES: | N(/OC1CCCN(C)C1)=Cc2ccc(C(=[N@H])N)cc2 | | InChi: | InChI=1S/C14H20N4O/c1-18-8-2-3-13(10-18)19-17-9-11-4-6-12(7-5-11)14(15)16/h4-7,9,13H,2-3,8,10H2,1H3,(H3,15,16)/b17-9+/t13-/m1/s1 | | Definition date: | 2009-10-08 | | Last modified: | 2011-06-04 | | Identifier: | 4-[(E)-({[(3R)-1-methylpiperidin-3-yl]oxy}imino)methyl]benzenecarboximidamide |
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 | | O14 | | Name: | (E)-4-((1-methylpiperidin-4-yloxyimino)methyl)benzimidamide | | Formula: | C14 H20 N4 O | | SMILES: | N(/OC1CCN(C)CC1)=Cc2ccc(C(=[N@H])N)cc2 | | InChi: | InChI=1S/C14H20N4O/c1-18-8-6-13(7-9-18)19-17-10-11-2-4-12(5-3-11)14(15)16/h2-5,10,13H,6-9H2,1H3,(H3,15,16)/b17-10+ | | Definition date: | 2009-10-08 | | Last modified: | 2011-06-04 | | Identifier: | 4-[(E)-{[(1-methylpiperidin-4-yl)oxy]imino}methyl]benzenecarboximidamide |
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 | | TCD | | Name: | 3,5-DICHLORO-2-{4-[(3,5-DICHLOROPYRIDIN-2-YL)OXY]PHENOXY}PYRIDINE | | Formula: | C16 H8 Cl4 N2 O2 | | SMILES: | Clc3cc(Cl)cnc3Oc2ccc(Oc1ncc(Cl)cc1Cl)cc2 | | InChi: | InChI=1S/C16H8Cl4N2O2/c17-9-5-13(19)15(21-7-9)23-11-1-2-12(4-3-11)24-16-14(20)6-10(18)8-22-16/h1-8H | | Definition date: | 2004-10-27 | | Last modified: | 2011-06-04 | | Identifier: | 2,2'-[benzene-1,4-diylbis(oxy)]bis(3,5-dichloropyridine) |
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 | | LZ4 | | Name: | 4-[(6-chloropyrazin-2-yl)amino]benzenesulfonamide | | Formula: | C10 H9 Cl N4 O2 S | | SMILES: | Clc2nc(Nc1ccc(cc1)S(=O)(=O)N)cnc2 | | InChi: | InChI=1S/C10H9ClN4O2S/c11-9-5-13-6-10(15-9)14-7-1-3-8(4-2-7)18(12,16)17/h1-6H,(H,14,15)(H2,12,16,17) | | Definition date: | 2008-05-15 | | Last modified: | 2011-06-04 | | Identifier: | 4-[(6-chloropyrazin-2-yl)amino]benzenesulfonamide |
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 | | TCZ | | Name: | 1,3,5-TRICHLORO-BENZENE | | Formula: | C6 H3 Cl3 | | SMILES: | Clc1cc(Cl)cc(Cl)c1 | | InChi: | InChI=1S/C6H3Cl3/c7-4-1-5(8)3-6(9)2-4/h1-3H | | Definition date: | 2002-01-09 | | Last modified: | 2011-06-04 | | Identifier: | 1,3,5-trichlorobenzene |
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 | | TRJ | | Name: | META-DI(AMINOMETHYL)BENZENE | | Formula: | C8 H12 N2 | | SMILES: | NCc1cccc(c1)CN | | InChi: | InChI=1S/C8H12N2/c9-5-7-2-1-3-8(4-7)6-10/h1-4H,5-6,9-10H2 | | Definition date: | 2000-09-12 | | Last modified: | 2011-06-04 | | Identifier: | benzene-1,3-diyldimethanamine |
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