Molecule ID: 135446206

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

Description: The molecule is a pyrrolopyrimidine that is 7-deazaguanine substituted at position 7 by a cyano group. It has a role as an Escherichia coli metabolite. It is a pyrrolopyrimidine and a nitrile. It derives from a 7-carboxy-7-deazaguanine.

SMILES: N#Cc1c[nH]c2[nH]c(=N)nc(O)c12

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

InChI: InChI=1S/C7H5N5O/c8-1-3-2-10-5-4(3)6(13)12-7(9)11-5/h2H,(H4,9,10,11,12,13)

Molecular Properties:
- Polar Surface Area: 107.0 Ų
- LogP: -1.0