Molecule ID: 118796883

IUPAC Name: 5-hydroxy-1,3,7-trimethylpurine-2,6,8-trione

Description: The molecule is a member of the class of oxopurines that is 5-hydroxyisouric acid carrying three additional methyl substituents at positions 1, 3 and 7. It has a role as a bacterial xenobiotic metabolite. It derives from a 5-hydroxyisouric acid.

SMILES: CN1C(=O)N(C)C2=NC(=O)N(C)C2(O)C1=O

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

InChI: InChI=1S/C8H10N4O4/c1-10-4-8(16,12(3)6(14)9-4)5(13)11(2)7(10)15/h16H,1-3H3

Molecular Properties:
- Polar Surface Area: 93.5 Ų
- LogP: -1.8