Chem
J-GLOBAL ID：200907090789746264   Nikkaji number：J2.646.360B

3-Methyl-7-propylxanthine

3-メチル-7-プロピルキサンチン
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： C9H12N4O2
Molecular formula furigana： C9-H12-N4-O2
Molecular weight： 208.221
InChI： InChI=1S/C9H12N4O2/c1-3-4-13-5-10-7-6(13)8(14)11-9(15)12(7)2/h5H,3-4H2,1-2H3,(H,11,14,15)
InChI key： MHNVSFOURBQRPK-UHFFFAOYSA-N
SMILES： CCCn1cnc2n(C)c(=O)[nH]c(=O)c12
Systematic name  (3)：
  • 3,7-ジヒドロ-3-メチル-7-プロピル-1H-プリン-2,6-ジオン
  • 3-メチル-7-プロピル-2,3,6,7-テトラヒドロ-1H-プリン-2,6-ジオン
  • 3-methyl-7-propyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
Other name (3)：
  • 3,7-Dihydro-3-methyl-7-propyl-1H-purine-2,6-dione
  • 3-Methyl-7-propylxanthine
  • 3-メチル-7-プロピルキサンチン
CAS registry number： 55242-64-3
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