Chem
J-GLOBAL ID：200907014927432545   Nikkaji number：J54.387J

1-Ethyltheobromine

1-エチルテオブロミン
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： C9H12N4O2
Molecular formula furigana： C9-H12-N4-O2
Molecular weight： 208.221
InChI： InChI=1S/C9H12N4O2/c1-4-13-8(14)6-7(10-5-11(6)2)12(3)9(13)15/h5H,4H2,1-3H3
InChI key： KRVVZPXPQUPXJE-UHFFFAOYSA-N
SMILES： CCn1c(=O)n(C)c2ncn(C)c2c1=O
Systematic name  (4)：
  • 1-エチル-3,7-ジメチルキサンチン
  • 3,7-ジヒドロ-3,7-ジメチル-1-エチル-1H-プリン-2,6-ジオン
  • 1-エチル-3,7-ジメチル-2,3,6,7-テトラヒドロ-1H-プリン-2,6-ジオン
  • 1-ethyl-3,7-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
Other name (3)：
  • 1-エチルテオブロミン
  • 1-Ethyltheobromine
  • 3,7-Dihydro-3,7-dimethyl-1-ethyl-1H-purine-2,6-dione
CAS registry number： 39832-36-5
Regulation number (1)：
  • XH2380000
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