Molecule ID: 70346

IUPAC Name: 1,3-dimethyl-7,9-dihydropurine-2,6,8-trione

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

SMILES: Cn1c(=O)c2nc(O)[nH]c2n(C)c1=O

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

InChI: InChI=1S/C7H8N4O3/c1-10-4-3(8-6(13)9-4)5(12)11(2)7(10)14/h1-2H3,(H2,8,9,13)

Molecular Properties:
- Polar Surface Area: 81.8 Ų
- LogP: -0.5