Chem
J-GLOBAL ID：200907079999817810   Nikkaji number：J472.612J

6-Methyl-2-phenyl-4-[6-(methylsulfinyl)-3-nitrophenyl]pyrimidine-5-carboxylic acid ethyl ester

6-メチル-2-フェニル-4-[6-(メチルスルフィニル)-3-ニトロフェニル]ピリミジン-5-カルボン酸エチル
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： C21H19N2[N+]O4[O-]S
Molecular formula furigana： C21-H19-N3-O5-S
Molecular weight： 425.460
InChI： InChI=1S/C21H19N3O5S/c1-4-29-21(25)18-13(2)22-20(14-8-6-5-7-9-14)23-19(18)16-12-15(24(26)27)10-11-17(16)30(3)28/h5-12H,4H2,1-3H3
InChI key： XUBXUOIUJGELSJ-UHFFFAOYSA-N
SMILES： CCOC(=O)c1c(C)nc(nc1c1cc(ccc1S(=O)C)[N+](=O)[O-])c1ccccc1
Systematic name  (3)：
  • 6-メチル-2-フェニル-4-[6-(メチルスルフィニル)-3-ニトロフェニル]ピリミジン-5-カルボン酸エチル
  • エチル 4-(2-メタンスルフィニル-5-ニトロフェニル)-6-メチル-2-フェニルピリミジン-5-カルボキシラート
  • ethyl 4-(2-methanesulfinyl-5-nitrophenyl)-6-methyl-2-phenylpyrimidine-5-carboxylate
Other name (1)：
  • 6-Methyl-2-phenyl-4-[6-(methylsulfinyl)-3-nitrophenyl]pyrimidine-5-carboxylic acid ethyl ester
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