Chem
J-GLOBAL ID：200907003842931931   Nikkaji number：J82.612J

8-Methylxanthine

8-メチルキサンチン
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： C6H6N4O2
Molecular formula furigana： C6-H6-N4-O2
Molecular weight： 166.140
InChI： InChI=1S/C6H6N4O2/c1-2-7-3-4(8-2)9-6(12)10-5(3)11/h1H3,(H3,7,8,9,10,11,12)
InChI key： RTAPDZBZLSXHQQ-UHFFFAOYSA-N
SMILES： Cc1nc2[nH]c(=O)[nH]c(=O)c2[nH]1
Systematic name  (4)：
  • 8-メチルキサンチン
  • 3,7-ジヒドロ-8-メチル-1H-プリン-2,6-ジオン
  • 8-メチル-2,3,6,7-テトラヒドロ-1H-プリン-2,6-ジオン
  • 8-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
Other name (2)：
  • 3,7-Dihydro-8-methyl-1H-purine-2,6-dione
  • 8-Methylxanthine
CAS registry number： 17338-96-4
Regulation number (1)：
  • EINECS2413621
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