potassium 4-[3-(6-oxidanylidene-3H-purin-9-yl)propylamino]benzoate

Systemtic Name: potassium 4-[3-(6-oxidanylidene-3H-purin-9-yl)propylamino]benzoate Openeye Name: potassium 4-[3-(6-oxo-3H-purin-9-yl)propylamino]benzoate CAS Name: potassium 4-[3-(6-oxo-3H-purin-9-yl)propylamino]benzoate IUPAC Name: potassium 4-[3-(6-oxo-3H-purin-9-yl)propylamino]benzoate Traditional Name: potassium 4-[3-(6-keto-3H-purin-9-yl)propylamino]benzoate Formula: C15H14KN5O3 MolecularWeight: 351.40166

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)[O-])NCCCN2C=NC3=C2NC=NC3=O.[K+]

Isomeric SMILES

C1=CC(=CC=C1C(=O)[O-])NCCCN2C=NC3=C2NC=NC3=O.[K+]

InChI

InChI=1S/C15H15N5O3.K/c21-14-12-13(17-8-18-14)20(9-19-12)7-1-6-16-11-4-2-10(3-5-11)15(22)23;/h2-5,8-9,16H,1,6-7H2,(H,22,23)(H,17,18,21);/q;+1/p-1