Description

A dimethylxanthine having the two methyl groups located at positions 1 and 7. It is a metabolite of caffeine and theobromine in animals.

Chemical properties

Chemical formula Net charge Average mass
C7H8N4O2 0 180.16418
1,7-dimethylxanthine

Nomenclature

IUPAC SMILES InChI InChIKey Synonyms
1,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione Cn1cnc2[nH]c(=O)n(C)c(=O)c12 InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)11(2)7(13)9-5/h3H,1-2H3,(H,9,13) QUNWUDVFRNGTCO-UHFFFAOYSA-N
  • 3,7-dihydro-1,7-dimethyl-1h-purine-2,6-dione
  • p-xanthine
  • paraxanthine