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
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