Molecule ID: 135409352

IUPAC Name: 2-amino-4-oxo-3H-pteridine-6-carbaldehyde

Description: The molecule is pterin carrying a formyl group at position 6. It has a role as an EC 1.17.3.2 (xanthine oxidase) inhibitor and a reactive oxygen species generator. It is a member of pterins and an aldehyde.

SMILES: N=c1nc(O)c2nc(C=O)cnc2[nH]1

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

InChI: InChI=1S/C7H5N5O2/c8-7-11-5-4(6(14)12-7)10-3(2-13)1-9-5/h1-2H,(H3,8,9,11,12,14)

Molecular Properties:
- Polar Surface Area: 110.0 Ų
- LogP: -1.6