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Molecular Formula: C8H10N4O2
Molecular weight: 194.1906
InChi: InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3
InChi Key: RYYVLZVUVIJVGH-UHFFFAOYSA-N
SMILES: c12c(n(c(=O)n(c1=O)C)C)ncn2C
Chemical Name
1,3,7-trimethylxanthine
3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione
caffeine
coffeine
thein
trimethylxanthine
[13C]-Caffeine
External Links
PubChem