 | | EJT | | Name: | 1,3-DI(N-PROPYLOXY-A-MANNOPYRANOSYL)-CARBOMYL 5-METHYAZIDO-BENZENE | | Formula: | C27 H41 N5 O14 | | SMILES: | O=C(NCCCOC1OC(CO)C(O)C(O)C1O)c2cc(cc(c2)C/N=[N+]=[N-])C(=O)NCCCOC3OC(C(O)C(O)C3O)CO | | InChi: | InChI=1S/C27H41N5O14/c28-32-31-10-13-7-14(24(41)29-3-1-5-43-26-22(39)20(37)18(35)16(11-33)45-26)9-15(8-13)25(42)30-4-2-6-44-27-23(40)21(38)19(36)17(12-34)46-27/h7-9,16-23,26-27,33-40H,1-6,10-12H2,(H,29,41)(H,30,42)/t16-,17-,18-,19-,20+,21+,22+,23+,26+,27+/m1/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | 5-(azidomethyl)-N,N'-bis[3-(alpha-D-mannopyranosyloxy)propyl]benzene-1,3-dicarboxamide |
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 | | 4SP | | Name: | O6-CYCLOHEXYLMETHOXY-2-(4'-SULPHAMOYLANILINO) PURINE | | Formula: | C18 H22 N6 O3 S | | SMILES: | O=S(=O)(N)c1ccc(cc1)Nc3nc2c(ncn2)c(n3)OCC4CCCCC4 | | InChi: | InChI=1S/C18H22N6O3S/c19-28(25,26)14-8-6-13(7-9-14)22-18-23-16-15(20-11-21-16)17(24-18)27-10-12-4-2-1-3-5-12/h6-9,11-12H,1-5,10H2,(H2,19,25,26)(H2,20,21,22,23,24) | | Definition date: | 2002-07-21 | | Last modified: | 2011-06-04 | | Identifier: | 4-{[6-(cyclohexylmethoxy)-9H-purin-2-yl]amino}benzenesulfonamide |
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 | | 23I | | Name: | N-[(1S,2S,4R)-2-HYDROXY-1-ISOBUTYL-5-({(1S)-1-[(ISOPROPYLAMINO)CARBONYL]-2-METHYLPROPYL}AMINO)-4-METHYL-5-OXOPENTYL]-5-[METHYL(METHYLSULFONYL)AMINO]-N'-[(1R)-1-PHENYLETHYL]ISOPHTHALAMIDE | | Formula: | C36 H55 N5 O7 S | | SMILES: | O=S(=O)(N(c1cc(cc(c1)C(=O)NC(c2ccccc2)C)C(=O)NC(CC(C)C)C(O)CC(C(=O)NC(C(=O)NC(C)C)C(C)C)C)C)C | | InChi: | InChI=1S/C36H55N5O7S/c1-21(2)16-30(31(42)17-24(7)33(43)40-32(22(3)4)36(46)37-23(5)6)39-35(45)28-18-27(19-29(20-28)41(9)49(10,47)48)34(44)38-25(8)26-14-12-11-13-15-26/h11-15,18-25,30-32,42H,16-17H2,1-10H3,(H,37,46)(H,38,44)(H,39,45)(H,40,43)/t24-,25-,30+,31+,32+/m1/s1 | | Definition date: | 2007-04-13 | | Last modified: | 2011-06-04 | | Identifier: | N-[(1S,2S,4R)-2-hydroxy-4-methyl-5-({(1S)-2-methyl-1-[(1-methylethyl)carbamoyl]propyl}amino)-1-(2-methylpropyl)-5-oxopentyl]-5-[methyl(methylsulfonyl)amino]-N'-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide |
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 | | 255 | | Name: | N-(tert-butyl)-4-[5-(pyridin-2-ylamino)quinolin-3-yl]benzenesulfonamide | | Formula: | C24 H24 N4 O2 S | | SMILES: | O=S(=O)(NC(C)(C)C)c1ccc(cc1)c2cc3c(cccc3nc2)Nc4ncccc4 | | InChi: | InChI=1S/C24H24N4O2S/c1-24(2,3)28-31(29,30)19-12-10-17(11-13-19)18-15-20-21(26-16-18)7-6-8-22(20)27-23-9-4-5-14-25-23/h4-16,28H,1-3H3,(H,25,27) | | Definition date: | 2007-09-24 | | Last modified: | 2011-06-04 | | Identifier: | N-tert-butyl-4-[5-(pyridin-2-ylamino)quinolin-3-yl]benzenesulfonamide |
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 | | 258 | | Name: | (2-chloroethoxy)benzene | | Formula: | C8 H9 Cl O | | SMILES: | 2-chloroethyl phenyl ether | | InChi: | InChI=1S/C8H9ClO/c9-6-7-10-8-4-2-1-3-5-8/h1-5H,6-7H2 | | Definition date: | 2007-10-01 | | Last modified: | 2011-06-04 | | Identifier: | (2-chloroethoxy)benzene |
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 | | 259 | | Name: | 1-(methylsulfanyl)-4-nitrobenzene | | Formula: | C7 H7 N O2 S | | SMILES: | methyl 4-nitrophenyl sulfide | | InChi: | InChI=1S/C7H7NO2S/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3 | | Definition date: | 2007-10-02 | | Last modified: | 2011-06-04 | | Identifier: | 1-(methylsulfanyl)-4-nitrobenzene |
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 | | 260 | | Name: | 2-(bromomethyl)-1,3-difluorobenzene | | Formula: | C7 H5 Br F2 | | SMILES: | BrCc1c(F)cccc1F | | InChi: | InChI=1S/C7H5BrF2/c8-4-5-6(9)2-1-3-7(5)10/h1-3H,4H2 | | Definition date: | 2007-10-02 | | Last modified: | 2011-06-04 | | Identifier: | 2-(bromomethyl)-1,3-difluorobenzene |
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 | | 263 | | Name: | 1-(azidomethyl)-3-methylbenzene | | Formula: | C8 H9 N3 | | SMILES: | 3-methylbenzyl azide | | InChi: | InChI=1S/C8H9N3/c1-7-3-2-4-8(5-7)6-10-11-9/h2-5H,6H2,1H3 | | Definition date: | 2007-10-02 | | Last modified: | 2011-06-04 | | Identifier: | 1-(azidomethyl)-3-methylbenzene |
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 | | 272 | | Name: | 4-(6-HYDROXY-BENZO[D]ISOXAZOL-3-YL)BENZENE-1,3-DIOL | | Formula: | C13 H9 N O4 | | SMILES: | n2oc1cc(O)ccc1c2c3ccc(O)cc3O | | InChi: | InChI=1S/C13H9NO4/c15-7-1-3-9(11(17)5-7)13-10-4-2-8(16)6-12(10)18-14-13/h1-6,15-17H | | Definition date: | 2004-08-02 | | Last modified: | 2011-06-04 | | Identifier: | 4-(6-hydroxy-1,2-benzisoxazol-3-yl)benzene-1,3-diol |
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 | | 27A | | Name: | (Z)-2-[2-(4-methylpiperazin-1-yl)benzyl]diazenecarbothioamide | | Formula: | C13 H19 N5 S | | SMILES: | S=C(/N=NCc2c(N1CCN(C)CC1)cccc2)N | | InChi: | InChI=1S/C13H19N5S/c1-17-6-8-18(9-7-17)12-5-3-2-4-11(12)10-15-16-13(14)19/h2-5H,6-10H2,1H3,(H2,14,19)/b16-15- | | Definition date: | 2009-03-27 | | Last modified: | 2011-06-04 | | Identifier: | (Z)-2-[2-(4-methylpiperazin-1-yl)benzyl]diazenecarbothioamide |
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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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 | | 2D9 | | Name: | 4-CHLORO-6-(4-{4-[4-(METHYLSULFONYL)BENZYL]PIPERAZIN-1-YL}-1H-PYRAZOL-5-YL)BENZENE-1,3-DIOL | | Formula: | C21 H23 Cl N4 O4 S | | SMILES: | Clc1cc(c(O)cc1O)c4nncc4N3CCN(Cc2ccc(cc2)S(=O)(=O)C)CC3 | | InChi: | InChI=1S/C21H23ClN4O4S/c1-31(29,30)15-4-2-14(3-5-15)13-25-6-8-26(9-7-25)18-12-23-24-21(18)16-10-17(22)20(28)11-19(16)27/h2-5,10-12,27-28H,6-9,13H2,1H3,(H,23,24) | | Definition date: | 2006-01-18 | | Last modified: | 2011-06-04 | | Identifier: | 4-chloro-6-(4-{4-[4-(methylsulfonyl)benzyl]piperazin-1-yl}-1H-pyrazol-5-yl)benzene-1,3-diol |
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 | | BNS | | Name: | benzenesulfonic acid | | Formula: | C6 H6 O3 S | | SMILES: | O=S(=O)(O)c1ccccc1 | | InChi: | InChI=1S/C6H6O3S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H,7,8,9) | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | benzenesulfonic acid |
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 | | BNZ | | Name: | BENZENE | | Formula: | C6 H6 | | SMILES: | c1ccccc1 | | InChi: | InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | benzene |
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 | | BP3 | | Name: | 2'-CHLORO-BIPHENYL-2,3-DIOL | | Formula: | C12 H9 Cl O2 | | SMILES: | Clc2ccccc2c1c(O)c(O)ccc1 | | InChi: | InChI=1S/C12H9ClO2/c13-10-6-2-1-4-8(10)9-5-3-7-11(14)12(9)15/h1-7,14-15H | | Definition date: | 2002-05-01 | | Last modified: | 2011-06-04 | | Identifier: | 2'-chlorobiphenyl-2,3-diol |
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 | | BP6 | | Name: | 2',6'-DICHLORO-BIPHENYL-2,6-DIOL | | Formula: | C12 H8 Cl2 O2 | | SMILES: | Clc2cccc(Cl)c2c1c(O)c(O)ccc1 | | InChi: | InChI=1S/C12H8Cl2O2/c13-8-4-2-5-9(14)11(8)7-3-1-6-10(15)12(7)16/h1-6,15-16H | | Definition date: | 2002-05-01 | | Last modified: | 2011-06-04 | | Identifier: | 2',6'-dichlorobiphenyl-2,3-diol |
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 | | BPY | | Name: | BIPHENYL-2,3-DIOL | | Formula: | C12 H10 O2 | | SMILES: | Oc2c(c1ccccc1)cccc2O | | InChi: | InChI=1S/C12H10O2/c13-11-8-4-7-10(12(11)14)9-5-2-1-3-6-9/h1-8,13-14H | | Definition date: | 2000-03-01 | | Last modified: | 2011-06-04 | | Identifier: | biphenyl-2,3-diol |
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 | | BR6 | | Name: | (E)-4-((4-bromophenylimino)methyl)benzimidamide | | Formula: | C14 H12 Br N3 | | SMILES: | Brc2ccc(/N=C/c1ccc(C(=[N@H])N)cc1)cc2 | | InChi: | InChI=1S/C14H12BrN3/c15-12-5-7-13(8-6-12)18-9-10-1-3-11(4-2-10)14(16)17/h1-9H,(H3,16,17)/b18-9+ | | Definition date: | 2009-10-13 | | Last modified: | 2011-06-04 | | Identifier: | 4-{(E)-[(4-bromophenyl)imino]methyl}benzenecarboximidamide |
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 | | BSD | | Name: | N-{(1S,2R)-1-benzyl-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}-5-[methyl(methylsulfonyl)amino]-N'-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide | | Formula: | C36 H42 N4 O6 S | | SMILES: | O=S(=O)(N(c2cc(cc(C(=O)NC(c1ccccc1)C)c2)C(=O)NC(Cc3ccccc3)C(O)CNCc4cc(OC)ccc4)C)C | | InChi: | InChI=1S/C36H42N4O6S/c1-25(28-15-9-6-10-16-28)38-35(42)29-20-30(22-31(21-29)40(2)47(4,44)45)36(43)39-33(19-26-12-7-5-8-13-26)34(41)24-37-23-27-14-11-17-32(18-27)46-3/h5-18,20-22,25,33-34,37,41H,19,23-24H2,1-4H3,(H,38,42)(H,39,43)/t25-,33+,34-/m1/s1 | | Definition date: | 2007-12-04 | | Last modified: | 2011-06-04 | | Identifier: | N-{(1S,2R)-1-benzyl-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}-5-[methyl(methylsulfonyl)amino]-N'-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide |
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 | | BT6 | | Name: | benzenethiol | | Formula: | C6 H6 S | | SMILES: | Sc1ccccc1 | | InChi: | InChI=1S/C6H6S/c7-6-4-2-1-3-5-6/h1-5,7H | | Definition date: | 2009-06-11 | | Last modified: | 2011-06-04 | | Identifier: | benzenethiol |
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 | | BTT | | Name: | BENZENE-1,2,4,5-TETROL | | Formula: | C6 H6 O4 | | SMILES: | Oc1c(O)cc(O)c(O)c1 | | InChi: | InChI=1S/C6H6O4/c7-3-1-4(8)6(10)2-5(3)9/h1-2,7-10H | | Definition date: | 2004-07-30 | | Last modified: | 2011-06-04 | | Identifier: | benzene-1,2,4,5-tetrol |
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 | | BXZ | | Name: | 4-bromo-6-(6-hydroxy-1,2-benzisoxazol-3-yl)benzene-1,3-diol | | Formula: | C13 H8 Br N O4 | | SMILES: | Brc3cc(c2noc1cc(O)ccc12)c(O)cc3O | | InChi: | InChI=1S/C13H8BrNO4/c14-9-4-8(10(17)5-11(9)18)13-7-2-1-6(16)3-12(7)19-15-13/h1-5,16-18H | | Definition date: | 2007-12-13 | | Last modified: | 2011-06-04 | | Identifier: | 4-bromo-6-(6-hydroxy-1,2-benzisoxazol-3-yl)benzene-1,3-diol |
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 | | BYC | | Name: | benzoyl coenzyme A | | Formula: | C28 H40 N7 O17 P3 S | | SMILES: | O=C(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)c4ccccc4 | | InChi: | InChI=1S/C28H40N7O17P3S/c1-28(2,22(38)25(39)31-9-8-18(36)30-10-11-56-27(40)16-6-4-3-5-7-16)13-49-55(46,47)52-54(44,45)48-12-17-21(51-53(41,42)43)20(37)26(50-17)35-15-34-19-23(29)32-14-33-24(19)35/h3-7,14-15,17,20-22,26,37-38H,8-13H2,1-2H3,(H,30,36)(H,31,39)(H,44,45)(H,46,47)(H2,29,32,33)(H2,41,42,43)/t17-,20-,21-,22+,26-/m1/s1 | | Definition date: | 2010-11-17 | | Last modified: | 2011-06-04 | | Identifier: | S-{(3S,5S,9R)-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-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} benzenecarbothioate (non-preferred name) |
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 | | FB1 | | Name: | 2-CHLOROBENZENESULFONAMIDE | | Formula: | C6 H6 Cl N O2 S | | SMILES: | O=S(=O)(c1ccccc1Cl)N | | InChi: | InChI=1S/C6H6ClNO2S/c7-5-3-1-2-4-6(5)11(8,9)10/h1-4H,(H2,8,9,10) | | Definition date: | 2009-03-31 | | Last modified: | 2011-06-04 | | Identifier: | 2-chlorobenzenesulfonamide |
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 | | FB2 | | Name: | benzenesulfonamide | | Formula: | C6 H7 N O2 S | | SMILES: | O=S(=O)(N)c1ccccc1 | | InChi: | InChI=1S/C6H7NO2S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H2,7,8,9) | | Definition date: | 2009-03-31 | | Last modified: | 2011-06-04 | | Identifier: | benzenesulfonamide |
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