Molecule ID: 439706

IUPAC Name: 6-(2-hydroxypropanoyl)-7,8-dihydro-1H-pteridine-2,4-dione

Description: The molecule is a member of the class of pteridines that is 7,8-dihydropteridine-2,4(1H,3H)-dione carrying a lactoyl group at position 6. It has a role as an animal metabolite. It is a member of pteridines and a secondary alpha-hydroxy ketone. It derives from a rac-lactic acid.

SMILES: CC(O)C(=O)C1=Nc2c(O)nc(O)nc2NC1

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

InChI: InChI=1S/C9H10N4O4/c1-3(14)6(15)4-2-10-7-5(11-4)8(16)13-9(17)12-7/h3,14H,2H2,1H3,(H3,10,12,13,16,17)

Molecular Properties:
- Polar Surface Area: 120.0 Ų
- LogP: -1.7