xanthine
PubChem Notes:
Xanthine A purine base found in most body tissues and fluids, certain plants, and some urinary calculi. It is an intermediate in the degradation of adenosine monophosphate to uric acid, being formed by oxidation of hypoxanthine. The methylated xanthine compounds caffeine, theobromine, and theophylline and their derivatives are used in medicine for their bronchodilator effects. (Dorland, 28th ed)
Molecular Formula:
C5H4N4O2
InChI: InChI=1/C5H4N4O2/c10-4-2-3(7-1-6-2)8-5(11)9-4/h1H,(H3,6,7,8,9,10,11)/f/h6,8-9H
InChIKey: InChIKey=LRFVTYWOQMYALW-JKKKRHIMCM
SMILES: C1=NC2=C(N1)C(=O)NC(=O)N2
Names:
xanthine
1H-Purine-2,6-dione, 3,7-dihydro-
3,7-dihydropurine-2,6-dione
Registries:
PubChem CID 1188
PubChem ID 10421440
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