Chem
J-GLOBAL ID：201507012947918287   Nikkaji number：J3.367.724C

2-Thioxo-4-(3-hydroxyphenyl)-6-methyl-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid (E)-4-anilino-4-oxo-2-butenyl ester

2-チオキソ-4-(3-ヒドロキシフェニル)-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(E)-4-アニリノ-4-オキソ-2-ブテニル
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： C22H21N3O4S
Molecular formula furigana： C22-H21-N3-O4-S
Molecular weight： 423.490
InChI： InChI=1S/C22H21N3O4S/c1-14-19(20(25-22(30)23-14)15-7-5-10-17(26)13-15)21(28)29-12-6-11-18(27)24-16-8-3-2-4-9-16/h2-11,13,20,26H,12H2,1H3,(H,24,27)(H2,23,25,30)/b11-6+
InChI key： GQIUVGJXLKEBMC-IZZDOVSWSA-N
SMILES： CC1=C(C(NC(=S)N1)c1cccc(O)c1)C(=O)OC/C=C/C(=O)Nc1ccccc1
Systematic name  (3)：
  • 2-チオキソ-4-(3-ヒドロキシフェニル)-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(E)-4-アニリノ-4-オキソ-2-ブテニル
  • (2E)-3-(フェニルカルバモイル)プロパ-2-エン-1-イル 4-(3-ヒドロキシフェニル)-6-メチル-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
  • (2E)-3-(phenylcarbamoyl)prop-2-en-1-yl 4-(3-hydroxyphenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Other name (1)：
  • 2-Thioxo-4-(3-hydroxyphenyl)-6-methyl-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid (E)-4-anilino-4-oxo-2-butenyl ester
Thsaurus map：
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