Molecule ID: 135398752

IUPAC Name: 1,7-dihydropyrazolo[3,4-d]pyrimidine-4,6-dione

Description: The molecule is a pyrazolopyrimidine that is 4,5,6,7-tetrahydro-H-pyrazolo[3,4-d]pyrimidine substituted by oxo groups at positions 4 and 6. It has a role as an EC 1.17.3.2 (xanthine oxidase) inhibitor and a drug metabolite.

SMILES: O=c1nc2[nH][nH]cc-2c(O)n1

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

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

Molecular Properties:
- Polar Surface Area: 86.9 Ų
- LogP: -0.9