Description

A 3-methylxanthine tautomer where the imidazole proton is located at the 7-position.

Chemical properties

Chemical formula Net charge Average mass
C6H6N4O2 0 166.13740
3-methyl-7H-xanthine

Nomenclature

IUPAC SMILES InChI InChIKey Synonyms
3-methyl-3,7-dihydro-1H-purine-2,6-dione Cn1c2nc[nH]c2c(=O)[nH]c1=O InChI=1S/C6H6N4O2/c1-10-4-3(7-2-8-4)5(11)9-6(10)12/h2H,1H3,(H,7,8)(H,9,11,12) GMSNIKWWOQHZGF-UHFFFAOYSA-N
  • n(1)-demethyltheophylline
  • 3-methyl-3,7(9)-dihydro-purine-2,6-dione
  • 3-methylxanthine
  • 3,7-dihydro-3-methyl-1h-purine-2,6-dione