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J-GLOBAL ID：201707011776078721   Nikkaji number：J3.670.867K

N-(2-Mercaptophenyl)-4-oxo-5-(3,4-dimethoxyphenyl)-10-cyclohexyl-3,4,5,6,7,8,9,10-octahydropyrimido[4,5-b]quinoline-2-carboxamide

N-(2-メルカプトフェニル)-4-オキソ-5-(3,4-ジメトキシフェニル)-10-シクロヘキシル-3,4,5,6,7,8,9,10-オクタヒドロピリミド[4,5-b]キノリン-2-カルボアミド
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Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C32H36N4O4S
Molecular formula furigana： C32-H36-N4-O4-S
Molecular weight： 572.720
InChI： InChI=1S/C32H36N4O4S/c1-39-24-17-16-19(18-25(24)40-2)27-21-12-6-8-14-23(21)36(20-10-4-3-5-11-20)30-28(27)31(37)35-29(34-30)32(38)33-22-13-7-9-15-26(22)41/h7,9,13,15-18,20,27,41H,3-6,8,10-12,14H2,1-2H3,(H,33,38)(H,34,35,37)
InChI key： MBFOEKVCCFEBMF-UHFFFAOYSA-N
SMILES： COc1ccc(cc1OC)C1C2=C(CCCC2)N(C2CCCCC2)c2nc([nH]c(=O)c12)C(=O)Nc1ccccc1S
Systematic name  (3)：
  • N-(2-メルカプトフェニル)-4-オキソ-5-(3,4-ジメトキシフェニル)-10-シクロヘキシル-3,4,5,6,7,8,9,10-オクタヒドロピリミド[4,5-b]キノリン-2-カルボアミド
  • 10-シクロヘキシル-5-(3,4-ジメトキシフェニル)-4-オキソ-N-(2-スルファニルフェニル)-3H,4H,5H,6H,7H,8H,9H,10H-ピリミド[4,5-b]キノリン-2-カルボキサミド
  • 10-cyclohexyl-5-(3,4-dimethoxyphenyl)-4-oxo-N-(2-sulfanylphenyl)-3H,4H,5H,6H,7H,8H,9H,10H-pyrimido[4,5-b]quinoline-2-carboxamide
Other name (1)：
  • N-(2-Mercaptophenyl)-4-oxo-5-(3,4-dimethoxyphenyl)-10-cyclohexyl-3,4,5,6,7,8,9,10-octahydropyrimido[4,5-b]quinoline-2-carboxamide
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