 | | X66 | | Name: | 2-(4,6-diamino-1,3,5-triazin-2-yl)benzene-1,4-diol | | Formula: | C9 H9 N5 O2 | | SMILES: | n1c(nc(nc1c2c(O)ccc(O)c2)N)N | | InChi: | InChI=1S/C9H9N5O2/c10-8-12-7(13-9(11)14-8)5-3-4(15)1-2-6(5)16/h1-3,15-16H,(H4,10,11,12,13,14) | | Definition date: | 2011-03-11 | | Last modified: | 2012-08-03 | | Identifier: | 2-(4,6-diamino-1,3,5-triazin-2-yl)benzene-1,4-diol |
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 | | SK4 | | Name: | 4-[(3-methoxyphenyl)amino]-6-(methylsulfonyl)quinoline-3-carboxamide | | Formula: | C18 H17 N3 O4 S | | SMILES: | O=S(=O)(c1ccc2ncc(c(c2c1)Nc3cccc(OC)c3)C(=O)N)C | | InChi: | InChI=1S/C18H17N3O4S/c1-25-12-5-3-4-11(8-12)21-17-14-9-13(26(2,23)24)6-7-16(14)20-10-15(17)18(19)22/h3-10H,1-2H3,(H2,19,22)(H,20,21) | | Definition date: | 2009-01-16 | | Last modified: | 2011-06-04 | | Identifier: | 4-[(3-methoxyphenyl)amino]-6-(methylsulfonyl)quinoline-3-carboxamide |
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 | | TRZ | | Name: | TRAZEOLIDE | | Formula: | C20 H28 O3 | | SMILES: | O=C(O)CCC(=O)c1cc2c(cc1C)C(C(C2C(C)C)C)(C)C | | InChi: | InChI=1S/C20H28O3/c1-11(2)19-13(4)20(5,6)16-9-12(3)14(10-15(16)19)17(21)7-8-18(22)23/h9-11,13,19H,7-8H2,1-6H3,(H,22,23)/t13-,19-/m0/s1 | | Definition date: | 1999-10-07 | | Last modified: | 2011-06-04 | | Identifier: | 4-oxo-4-[(2S,3S)-1,1,2,6-tetramethyl-3-(1-methylethyl)-2,3-dihydro-1H-inden-5-yl]butanoic acid |
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 | | MRT | | Name: | (5R,9S,12S,15S,18S,21S)-21-benzyl-12,18-bis(carboxymethyl)-15-cyclohexyl-1-(9H-fluoren-9-yl)-4-methyl-9-(2-methylpropyl)-3,6,10,13,16,19-hexaoxo-5-phenyl-2-oxa-4,8,11,14,17,20-hexaazadocosan-22-oic acid | | Formula: | C56 H66 N6 O13 | | SMILES: | O=C(OCC3c1ccccc1c2ccccc23)N(C)C(c4ccccc4)C(=O)CNC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)Cc5ccccc5)CC(=O)O)C6CCCCC6)CC(=O)O)CC(C)C | | InChi: | InChI=1S/C56H66N6O13/c1-33(2)27-42(57-31-46(63)50(36-21-11-6-12-22-36)62(3)56(74)75-32-41-39-25-15-13-23-37(39)38-24-14-16-26-40(38)41)51(68)58-44(30-48(66)67)53(70)61-49(35-19-9-5-10-20-35)54(71)59-43(29-47(64)65)52(69)60-45(55(72)73)28-34-17-7-4-8-18-34/h4,6-8,11-18,21-26,33,35,41-45,49-50,57H,5,9-10,19-20,27-32H2,1-3H3,(H,58,68)(H,59,71)(H,60,69)(H,61,70)(H,64,65)(H,66,67)(H,72,73)/t42-,43-,44-,45-,49-,50+/m0/s1 | | Definition date: | 2008-04-14 | | Last modified: | 2011-06-04 | | Identifier: | (5R,9S,12S,15S,18S,21S)-21-benzyl-12,18-bis(carboxymethyl)-15-cyclohexyl-1-(9H-fluoren-9-yl)-4-methyl-9-(2-methylpropyl)-3,6,10,13,16,19-hexaoxo-5-phenyl-2-oxa-4,8,11,14,17,20-hexaazadocosan-22-oic acid (non-preferred name) |
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 | | PFY | | Name: | (3Z)-5-[(2,6-DICHLOROBENZYL)SULFONYL]-3-[(3,5-DIMETHYL-4-{[(2S)-2-(PYRROLIDIN-1-YLMETHYL)PYRROLIDIN-1-YL]CARBONYL}-1H-PYRROL-2-YL)METHYLIDENE]-1,3-DIHYDRO-2H-INDOL-2-ONE | | Formula: | C32 H34 Cl2 N4 O4 S | | SMILES: | Clc1cccc(Cl)c1CS(=O)(=O)c2ccc3c(c2)/C(C(=O)N3)=C/c4c(c(c(n4)C)C(=O)N5CCCC5CN6CCCC6)C | | InChi: | InChI=1S/C32H34Cl2N4O4S/c1-19-29(35-20(2)30(19)32(40)38-14-6-7-21(38)17-37-12-3-4-13-37)16-24-23-15-22(10-11-28(23)36-31(24)39)43(41,42)18-25-26(33)8-5-9-27(25)34/h5,8-11,15-16,21,35H,3-4,6-7,12-14,17-18H2,1-2H3,(H,36,39)/b24-16-/t21-/m0/s1 | | Definition date: | 2009-06-15 | | Last modified: | 2011-06-04 | | Identifier: | (3Z)-5-[(2,6-dichlorobenzyl)sulfonyl]-3-[(3,5-dimethyl-4-{[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]carbonyl}-1H-pyrrol-2-yl)methylidene]-1,3-dihydro-2H-indol-2-one |
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 | | AM0 | | Name: | N-phenyl-1-{4-[(3,4,5-trimethoxyphenyl)amino]-1,3,5-triazin-2-yl}-1H-benzimidazol-2-amine | | Formula: | C25 H23 N7 O3 | | SMILES: | O(c1cc(cc(OC)c1OC)Nc2ncnc(n2)n3c5ccccc5nc3Nc4ccccc4)C | | InChi: | InChI=1S/C25H23N7O3/c1-33-20-13-17(14-21(34-2)22(20)35-3)28-23-26-15-27-24(31-23)32-19-12-8-7-11-18(19)30-25(32)29-16-9-5-4-6-10-16/h4-15H,1-3H3,(H,29,30)(H,26,27,28,31) | | Definition date: | 2008-01-21 | | Last modified: | 2011-06-04 | | Identifier: | N-phenyl-1-{4-[(3,4,5-trimethoxyphenyl)amino]-1,3,5-triazin-2-yl}-1H-benzimidazol-2-amine |
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