Molecule ID: 135867728

IUPAC Name: 1-(2-amino-4-oxo-7,8-dihydro-3H-pteridin-6-yl)propane-1,2-dione

Description: The molecule is a 7,8-dihydropterin compound having an amino substituent at the 2-position, an oxo substituent at the 4-position and a pyruvoyl group at the 6-position.

SMILES: CC(=O)C(=O)C1=Nc2c(O)nc(=N)[nH]c2NC1

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

InChI: InChI=1S/C9H9N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h2H2,1H3,(H4,10,11,13,14,17)

Molecular Properties:
- Polar Surface Area: 126.0 Ų
- LogP: -1.9