Description

A trimethylxanthine in which the three methyl groups are located at positions 1, 3, and 7. A purine alkaloid that occurs naturally in tea and coffee.

Chemical properties

Chemical formula Net charge Average mass
C8H10N4O2 0 194.19076
caffeine

Nomenclature

IUPAC SMILES InChI InChIKey Synonyms
1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione Cn1cnc2n(C)c(=O)n(C)c(=O)c12 InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3 RYYVLZVUVIJVGH-UHFFFAOYSA-N
  • 1,3,7-trimethylpurine-2,6-dione
  • 7-methyltheophylline
  • coffein
  • methyltheobromine
  • koffein
  • guaranine
  • 1-methyltheobromine
  • thein
  • cafeina
  • 1,3,7-trimethyl-2,6-dioxopurine
  • mateina
  • cafeine
  • anhydrous caffeine
  • 1,3,7-trimethylxanthine
  • theine
  • teina
  • 3,7-dihydro-1,3,7-trimethyl-1h-purin-2,6-dion