Molecule ID: 136165271

IUPAC Name: [amino-(2-amino-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)methylidene]azanium

Description: The molecule is a carboxamidinium ion that is the conjugate acid of 7-formamidino-7-deazaguanine, arising from selective protonation of the imino nitrogen; major species at pH 7.3. It is a conjugate acid of a 7-formamidino-7-deazaguanine.

SMILES: N=c1nc(O)c2c(C(N)=[NH2+])c[nH]c2[nH]1

SELFIES: [N][=C][N][=C][Branch1][C][O][C][C][Branch1][=Branch1][C][Branch1][C][N][=NH2+1][=C][NH1][C][=Ring1][Branch2][NH1][Ring1][=N]

InChI: InChI=1S/C7H8N6O/c8-4(9)2-1-11-5-3(2)6(14)13-7(10)12-5/h1H,(H3,8,9)(H4,10,11,12,13,14)/p+1

Molecular Properties:
- Polar Surface Area: 135.0 Ų
- LogP: -1.8