Molecule ID: 250388

IUPAC Name: 5-hydroxy-3,7-dihydropurine-2,6,8-trione

Description: The molecule is an oxopurine that is 5,7-dihydro-1H-purine-2,6,8(9H)-trione in which the hydrogen at position 5 is substituted by a hydroxy group. It has a role as a human metabolite and a mouse metabolite. It derives from a 5,7-dihydro-1H-purine-2,6,8(9H)-trione. It is a conjugate acid of a 5-hydroxyisouric acid anion.

SMILES: O=C1N=C(O)C2(O)NC(O)=NC2=N1

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

InChI: InChI=1S/C5H4N4O4/c10-2-5(13)1(6-3(11)8-2)7-4(12)9-5/h13H,(H3,6,7,8,9,10,11,12)

Molecular Properties:
- Polar Surface Area: 120.0 Ų
- LogP: -2.3