Molecule ID: 135566892

IUPAC Name: 2-amino-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carboxylic acid

Description: The molecule is a pyrrolopyrimidine that is 7-deazaguanine bearing a carboxylic acid substituent at the 7 position. It is a pyrrolopyrimidine and a monocarboxylic acid. It is a conjugate acid of a 7-carboxylato-7-deazaguanine.

SMILES: N=c1nc(O)c2c(C(=O)O)c[nH]c2[nH]1

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

InChI: InChI=1S/C7H6N4O3/c8-7-10-4-3(5(12)11-7)2(1-9-4)6(13)14/h1H,(H,13,14)(H4,8,9,10,11,12)

Molecular Properties:
- Polar Surface Area: 121.0 Ų
- LogP: -1.2