Molecule ID: 135464078

IUPAC Name: 2-amino-7-methyl-1,9-dihydropurine-6,8-dione

Description: The molecule is an oxopurine that is guanine with an oxo group at position 8 and a methyl substituent at position 7. It has a role as a metabolite. It is an oxopurine and a member of 2-aminopurines. It derives from a guanine.

SMILES: Cn1c(O)nc2[nH]c(=N)nc(O)c21

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

InChI: InChI=1S/C6H7N5O2/c1-11-2-3(9-6(11)13)8-5(7)10-4(2)12/h1H3,(H4,7,8,9,10,12,13)

Molecular Properties:
- Polar Surface Area: 99.8 Ų
- LogP: -1.5