Chem
J-GLOBAL ID:200907026749580630   Nikkaji number:J371.924C

(4S)-2-Oxo-6-thioxohexahydropyrimidine-4-carboxylic acid benzyl ester

(4S)-2-オキソ-6-チオキソヘキサヒドロピリミジン-4-カルボン酸ベンジル
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: C12H12N2O3S
Molecular formula furigana: C12-H12-N2-O3-S
Molecular weight: 264.300
InChI: InChI=1S/C12H12N2O3S/c15-11(9-6-10(18)14-12(16)13-9)17-7-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H2,13,14,16,18)/t9-/m0/s1
InChI key: YFTMNEUIRYKOII-VIFPVBQESA-N
SMILES: O=C(OCc1ccccc1)[C@@H]1CC(=S)NC(=O)N1
Systematic name  (3):
  • (4S)-2-オキソ-6-チオキソヘキサヒドロピリミジン-4-カルボン酸ベンジル
  • ベンジル (4S)-2-オキソ-6-スルファニリデン-1,3-ジアジナン-4-カルボキシラート
  • benzyl (4S)-2-oxo-6-sulfanylidene-1,3-diazinane-4-carboxylate
Other name (1):
  • (4S)-2-Oxo-6-thioxohexahydropyrimidine-4-carboxylic acid benzyl ester
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