Chem
J-GLOBAL ID：200907014136272714   Nikkaji number：J516.007C

Thioacetic acid S-(5-cyano-4-ethoxy-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl) ester

チオ酢酸S-(5-シアノ-4-エトキシ-2-メチル-7H-ピロロ[2,3-d]ピリミジン-6-イル)
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： C12H12N4O2S
Molecular formula furigana： C12-H12-N4-O2-S
Molecular weight： 276.310
InChI： InChI=1S/C12H12N4O2S/c1-4-18-11-9-8(5-13)12(19-7(3)17)16-10(9)14-6(2)15-11/h4H2,1-3H3,(H,14,15,16)
InChI key： KCPXNRFZSQCNBT-UHFFFAOYSA-N
SMILES： CCOc1nc(C)nc2[nH]c(SC(=O)C)c(C#N)c12
Systematic name  (3)：
  • チオ酢酸S-(5-シアノ-4-エトキシ-2-メチル-7H-ピロロ[2,3-d]ピリミジン-6-イル)
  • 6-(アセチルスルファニル)-4-エトキシ-2-メチル-7H-ピロロ[2,3-d]ピリミジン-5-カルボニトリル
  • 6-(acetylsulfanyl)-4-ethoxy-2-methyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
Other name (1)：
  • Thioacetic acid S-(5-cyano-4-ethoxy-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl) ester
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