Chem
J-GLOBAL ID:200907045772101736   Nikkaji number:J973.625E

1-(4-Fluorophenyl)-2-thioxo-4-(3-nitrophenyl)-6-methyl-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid ethyl ester

1-(4-フルオロフェニル)-2-チオキソ-4-(3-ニトロフェニル)-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: C20H18FN2[N+]O3[O-]S
Molecular formula furigana: C20-H18-F-N3-O4-S
Molecular weight: 415.440
InChI: InChI=1S/C20H18FN3O4S/c1-3-28-19(25)17-12(2)23(15-9-7-14(21)8-10-15)20(29)22-18(17)13-5-4-6-16(11-13)24(26)27/h4-11,18H,3H2,1-2H3,(H,22,29)
InChI key: LCRHXGYCPUARTM-UHFFFAOYSA-N
SMILES: CCOC(=O)C1=C(C)N(C(=S)NC1c1cccc(c1)[N+](=O)[O-])c1ccc(F)cc1
Systematic name  (3):
  • 1-(4-フルオロフェニル)-2-チオキソ-4-(3-ニトロフェニル)-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 1-(4-フルオロフェニル)-6-メチル-4-(3-ニトロフェニル)-2-スルファニリデン-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 1-(4-fluorophenyl)-6-methyl-4-(3-nitrophenyl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Other name (1):
  • 1-(4-Fluorophenyl)-2-thioxo-4-(3-nitrophenyl)-6-methyl-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid ethyl ester
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