Molecule ID: 83126

IUPAC Name: 3,7-dimethyl-9H-purine-2,6,8-trione

Description: The molecule is an oxopurine that is 7,9-dihydro-1H-purine-2,6,8(3H)-trione substituted by methyl groups at N-3 and N-7. It has a role as a metabolite and a mouse metabolite. It derives from a 7,9-dihydro-1H-purine-2,6,8(3H)-trione. It is a conjugate acid of a 3,7-dimethylurate anion.

SMILES: Cn1c(O)nc2c1c(O)nc(=O)n2C

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

InChI: InChI=1S/C7H8N4O3/c1-10-3-4(8-6(10)13)11(2)7(14)9-5(3)12/h1-2H3,(H,8,13)(H,9,12,14)

Molecular Properties:
- Polar Surface Area: 81.8 Ų
- LogP: -1.3