Chem
J-GLOBAL ID：201207000074709538   Nikkaji number：J3.059.018J

2-(Methylthio)-4-(dimethylamino)-5-(4-chlorophenyl)thieno[2,3-d]pyrimidine-6-carboxylic acid tert-butyl ester

2-(メチルチオ)-4-(ジメチルアミノ)-5-(4-クロロフェニル)チエノ[2,3-d]ピリミジン-6-カルボン酸tert-ブチル
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： C20H22ClN3O2S2
Molecular formula furigana： C20-H22-CL-N3-O2-S2
Molecular weight： 435.990
InChI： InChI=1S/C20H22ClN3O2S2/c1-20(2,3)26-18(25)15-13(11-7-9-12(21)10-8-11)14-16(24(4)5)22-19(27-6)23-17(14)28-15/h7-10H,1-6H3
InChI key： AUVOWZOEKZUTAN-UHFFFAOYSA-N
SMILES： CSc1nc(N(C)C)c2c(c(sc2n1)C(=O)OC(C)(C)C)c1ccc(Cl)cc1
Systematic name  (3)：
  • 2-(メチルチオ)-4-(ジメチルアミノ)-5-(4-クロロフェニル)チエノ[2,3-d]ピリミジン-6-カルボン酸tert-ブチル
  • tert-ブチル 5-(4-クロロフェニル)-4-(ジメチルアミノ)-2-(メチルスルファニル)チエノ[2,3-d]ピリミジン-6-カルボキシラート
  • tert-butyl 5-(4-chlorophenyl)-4-(dimethylamino)-2-(methylsulfanyl)thieno[2,3-d]pyrimidine-6-carboxylate
Other name (1)：
  • 2-(Methylthio)-4-(dimethylamino)-5-(4-chlorophenyl)thieno[2,3-d]pyrimidine-6-carboxylic acid tert-butyl ester
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