Chem
J-GLOBAL ID:200907011896435355   Nikkaji number:J401.146E

3,7-Dimethyl-1-acetonylxanthine

3,7-ジメチル-1-アセトニルキサンチン
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: C10H12N4O3
Molecular formula furigana: C10-H12-N4-O3
Molecular weight: 236.231
InChI: InChI=1S/C10H12N4O3/c1-6(15)4-14-9(16)7-8(11-5-12(7)2)13(3)10(14)17/h5H,4H2,1-3H3
InChI key: NMMVOJOKARYAHF-UHFFFAOYSA-N
SMILES: CC(=O)Cn1c(=O)n(C)c2ncn(C)c2c1=O
Systematic name  (4):
  • 1-(2-オキソプロピル)-3,7-ジメチルキサンチン
  • 3,7-ジメチル-1-アセトニルキサンチン
  • 3,7-ジメチル-1-(2-オキソプロピル)-2,3,6,7-テトラヒドロ-1H-プリン-2,6-ジオン
  • 3,7-dimethyl-1-(2-oxopropyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
Other name (2):
  • 1-(2-Oxopropyl)-3,7-dimethylxanthine
  • 3,7-Dimethyl-1-acetonylxanthine
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