paraxanthine

Molecular Formula: C7H8N4O2


InChI: InChI=1/C7H8N4O2/c1-10-3-8-5-4(10)6(12)11(2)7(13)9-5/h3H,1-2H3,(H,9,13)/f/h9H

InChIKey: InChIKey=QUNWUDVFRNGTCO-BGGKNDAXCO
SMILES: CN1C(=O)Nc2ncn(C)c2C1=O

Names:
    paraxanthine
    1H-Purine-2,6-dione, 3,7-dihydro-1,7-dimethyl-
    1,7-Dimethylxanthine
    1,7-dimethyl-3H-purine-2,6-dione

Registries:
    PubChem CID 4687
    ChEBI 25858
    PubChem ID 10437086