Molecule ID: 135398638

IUPAC Name: 1,7-dihydropurin-6-one

Description: The molecule is a purine nucleobase that consists of purine bearing an oxo substituent at position 6. It has a role as a fundamental metabolite. It is an oxopurine, a purine nucleobase and a nucleobase analogue. It derives from an adenine.

SMILES: Oc1ncnc2[nH]cnc12

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

InChI: InChI=1S/C5H4N4O/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2H,(H2,6,7,8,9,10)

Molecular Properties:
- Polar Surface Area: 70.1 Ų
- LogP: -0.5