Chem
J-GLOBAL ID：200907007264954503   Nikkaji number：J2.737.081K

3-Oxohexobarbital

3-オキソヘキソバルビタール
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： C12H16N[N+]O3[O-]
Molecular formula furigana： C12-H16-N2-O4
Molecular weight： 252.270
InChI： InChI=1S/C12H16N2O4/c1-12(8-6-4-3-5-7-8)9(15)13(2)11(17)14(18)10(12)16/h6,14H,3-5,7H2,1-2H3
InChI key： WFMUQLVVHZGTBN-UHFFFAOYSA-N
SMILES： CN1C(=O)[N+]([O-])C(=O)C(C)(C1=O)C1=CCCCC1
Systematic name  (3)：
  • 5-(1-シクロヘキセニル)-1,5-ジメチルピリミジン2,4,6(1H,3H,5H)-トリオン3-オキシド
  • 5-(シクロヘキサ-1-エン-1-イル)-3,5-ジメチル-2,4,6-トリオキソ-1,3-ジアジナン-1-イウム-1-オラート
  • 5-(cyclohex-1-en-1-yl)-3,5-dimethyl-2,4,6-trioxo-1,3-diazinan-1-ium-1-olate
Other name (3)：
  • 5-(1-Cyclohexenyl)-1,5-dimethylpyrimidine 2,4,6(1H,3H,5H)-trione 3-oxide
  • 3-Oxohexobarbital
  • 3-オキソヘキソバルビタール
KEGG COMPOUND： C02517
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