Molecule ID: 135886633

IUPAC Name: 5-[(2-amino-4-oxo-7,8-dihydro-3H-pteridin-6-yl)methylamino]-2-carboxyphenolate

Description: The molecule is a member of the class of pteroates that is the conjugate base of 2-hydroxy-7,8-dihydropteroic acid, obtained by deprotonation of the carboxy group. Major microspecies at pH 7.3. It is a member of pteroates and a hydroxybenzoate. It derives from a 7,8-dihydropteroate.

SMILES: N=c1nc(O)c2c([nH]1)NCC(CNc1ccc(C(=O)O)c([O-])c1)=N2

SELFIES: [N][=C][N][=C][Branch1][C][O][C][=C][Branch1][Ring2][NH1][Ring1][#Branch1][N][C][C][Branch2][Ring1][Branch1][C][N][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][Branch1][C][O-1][=C][Ring1][#Branch2][=N][Ring2][Ring1][Ring1]

InChI: InChI=1S/C14H14N6O4/c15-14-19-11-10(12(22)20-14)18-7(5-17-11)4-16-6-1-2-8(13(23)24)9(21)3-6/h1-3,16,21H,4-5H2,(H,23,24)(H4,15,17,19,20,22)/p-1

Molecular Properties:
- Polar Surface Area: 164.0 Ų
- LogP: 0.7