Chem
J-GLOBAL ID:200907068935702503   Nikkaji number:J973.624G

1-[2-(Trifluoromethyl)phenyl]-2-thioxo-4-(4-fluorophenyl)-6-methyl-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid ethyl ester

1-[2-(トリフルオロメチル)フェニル]-2-チオキソ-4-(4-フルオロフェニル)-6-メチル-1,2,3,4-テトラヒドロピリミジン-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: C21H18F4N2O2S
Molecular formula furigana: C21-H18-F4-N2-O2-S
Molecular weight: 438.440
InChI: InChI=1S/C21H18F4N2O2S/c1-3-29-19(28)17-12(2)27(16-7-5-4-6-15(16)21(23,24)25)20(30)26-18(17)13-8-10-14(22)11-9-13/h4-11,18H,3H2,1-2H3,(H,26,30)
InChI key: CWSYHLDRAJNBPD-UHFFFAOYSA-N
SMILES: CCOC(=O)C1=C(C)N(C(=S)NC1c1ccc(F)cc1)c1ccccc1C(F)(F)F
Systematic name  (3):
  • 1-[2-(トリフルオロメチル)フェニル]-2-チオキソ-4-(4-フルオロフェニル)-6-メチル-1,2,3,4-テトラヒドロピリミジン-5-カルボン酸エチル
  • エチル 4-(4-フルオロフェニル)-6-メチル-2-スルファニリデン-1-[2-(トリフルオロメチル)フェニル]-1,2,3,4-テトラヒドロピリミジン-5-カルボキシラート
  • ethyl 4-(4-fluorophenyl)-6-methyl-2-sulfanylidene-1-[2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Other name (1):
  • 1-[2-(Trifluoromethyl)phenyl]-2-thioxo-4-(4-fluorophenyl)-6-methyl-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid ethyl ester
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