Chem
J-GLOBAL ID：201107056425437759
Nikkaji number：J2.905.023F
(S)-Isobarbital
(S)-イソバルビタール
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
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
Molecular formula： C4H4N2O3
Molecular formula furigana： C4-H4-N2-O3
Molecular weight： 128.086
InChI：
InChI=1S/C4H4N2O3/c7-2-1-5-4(9)6-3(2)8/h1,4,9H,(H,6,8)/t4-/m1/s1
InChI key：
QNHMRPVONVEHOZ-SCSAIBSYSA-N
SMILES：
O[C@H]1NC(=O)C(=O)C=N1
Systematic name (3)：
- (2S)-2-ヒドロキシ-2,3-ジヒドロピリミジン-4,5-ジオン
- (2S)-2-ヒドロキシ-2,3,4,5-テトラヒドロピリミジン-4,5-ジオン
- (2S)-2-hydroxy-2,3,4,5-tetrahydropyrimidine-4,5-dione
- (2S)-2-Hydroxy-2,3-dihydropyrimidine-4,5-dione
- (S)-イソバルビタール
- (S)-Isobarbital
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