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

Systemtic Name: 4-[(6-oxidanylidene-3H-purin-9-yl)methyl]benzoic acid Openeye Name: 4-[(6-oxo-3H-purin-9-yl)methyl]benzoic acid CAS Name: 4-[(6-oxo-3H-purin-9-yl)methyl]benzoic acid IUPAC Name: 4-[(6-oxo-3H-purin-9-yl)methyl]benzoic acid Traditional Name: 4-[(6-keto-3H-purin-9-yl)methyl]benzoic acid Formula: C13H10N4O3 MolecularWeight: 270.2435

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C=NC3=C2NC=NC3=O)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CN2C=NC3=C2NC=NC3=O)C(=O)O

InChI

InChI=1S/C13H10N4O3/c18-12-10-11(14-6-15-12)17(7-16-10)5-8-1-3-9(4-2-8)13(19)20/h1-4,6-7H,5H2,(H,19,20)(H,14,15,18)