Molecule ID: 1188

IUPAC Name: 3,7-dihydropurine-2,6-dione

Description: The molecule is an oxopurine in which the purine ring is substituted by oxo groups at positions 2 and 6 and N-9 is protonated. It has a role as a Saccharomyces cerevisiae metabolite. It is a tautomer of a 7H-xanthine.

SMILES: Oc1nc(O)c2nc[nH]c2n1

SELFIES: [O][C][=N][C][Branch1][C][O][=C][N][=C][NH1][C][Ring1][Branch1][=N][Ring1][#Branch2]

InChI: InChI=1S/C5H4N4O2/c10-4-2-3(7-1-6-2)8-5(11)9-4/h1H,(H3,6,7,8,9,10,11)

Molecular Properties:
- Polar Surface Area: 86.9 Ų
- LogP: -0.7