Molecule ID: 5355054

IUPAC Name: 6-amino-7,9-dihydropurin-8-one

Description: The molecule is a oxopurine that is adenine bearing a single oxo substituent at position 8. It has a role as a human metabolite. It is a member of 6-aminopurines, an oxopurine and a nucleobase analogue. It derives from an adenine. It is a tautomer of an 8-hydroxyadenine.

SMILES: Nc1ncnc2[nH]c(O)nc12

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

InChI: InChI=1S/C5H5N5O/c6-3-2-4(8-1-7-3)10-5(11)9-2/h1H,(H4,6,7,8,9,10,11)

Molecular Properties:
- Polar Surface Area: 92.9 Ų
- LogP: -1.2