4-[2,6-bis(oxidanylidene)-3-propyl-7H-purin-8-yl]benzoic acid

Systemtic Name: 4-[2,6-bis(oxidanylidene)-3-propyl-7H-purin-8-yl]benzoic acid Openeye Name: 4-(2,6-dioxo-3-propyl-7H-purin-8-yl)benzoic acid CAS Name: 4-(2,6-dioxo-3-propyl-7H-purin-8-yl)benzoic acid IUPAC Name: 4-(2,6-dioxo-3-propyl-7H-purin-8-yl)benzoic acid Traditional Name: 4-(2,6-diketo-3-propyl-7H-purin-8-yl)benzoic acid Formula: C15H14N4O4 MolecularWeight: 314.29606

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)NC1=O)NC(=N2)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CCCN1C2=C(C(=O)NC1=O)NC(=N2)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C15H14N4O4/c1-2-7-19-12-10(13(20)18-15(19)23)16-11(17-12)8-3-5-9(6-4-8)14(21)22/h3-6H,2,7H2,1H3,(H,16,17)(H,21,22)(H,18,20,23)