4-[3-(6-oxidanylidene-3H-purin-9-yl)propylamino]benzoic acid

Systemtic Name: 4-[3-(6-oxidanylidene-3H-purin-9-yl)propylamino]benzoic acid Openeye Name: 4-[3-(6-oxo-3H-purin-9-yl)propylamino]benzoic acid CAS Name: 4-[3-(6-oxo-3H-purin-9-yl)propylamino]benzoic acid IUPAC Name: 4-[3-(6-oxo-3H-purin-9-yl)propylamino]benzoic acid Traditional Name: 4-[3-(6-keto-3H-purin-9-yl)propylamino]benzoic acid Formula: C15H15N5O3 MolecularWeight: 313.3113

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)NCCCN2C=NC3=C2NC=NC3=O

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)NCCCN2C=NC3=C2NC=NC3=O

InChI

InChI=1S/C15H15N5O3/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)