trimethylxanthine Caffeine caffeine 1,3,7-trimethyl-2,6-dioxopurine 1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione 1,3,7-trimethylpurine-2,6-dione 1,3,7-trimethylxanthine 1-methyltheobromine 1886 3,7-Dihydro-1,3,7-trimethyl-1H-purin-2,6-dion 7-methyltheophylline A trimethylxanthine that has formula C8H10N4O2. Beilstein:17705 C8H10N4O2 CAFFEINE CHEBI:22982 CHEBI:27732 CHEBI:3295 CHEBI:41472 Caffeine ChemIDplus:58-08-2 Cn1cnc2n(C)c(=O)n(C)c(=O)c12 Coffein DrugBank:DB00201 Gmelin:103040 InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3 InChIKey=RYYVLZVUVIJVGH-UHFFFAOYSA-N KEGG COMPOUND:58-08-2 KEGG COMPOUND:C07481 KEGG DRUG:D00528 Koffein NIST Chemistry WebBook:58-08-2 PDBeChem:CFF Thein Wikipedia:Caffeine anhydrous caffeine cafeina cafeine guaranine mateina methyltheobromine teina theine