4-[2,6-bis(oxidanylidene)-5,9-dihydropurin-8-yl]benzoic acid

Systemtic Name: 4-[2,6-bis(oxidanylidene)-5,9-dihydropurin-8-yl]benzoic acid Openeye Name: 4-(2,6-dioxo-5,9-dihydropurin-8-yl)benzoic acid CAS Name: 4-(2,6-dioxo-5,9-dihydropurin-8-yl)benzoic acid IUPAC Name: 4-(2,6-dioxo-5,9-dihydropurin-8-yl)benzoic acid Traditional Name: 4-(2,6-diketo-5,9-dihydropurin-8-yl)benzoic acid Formula: C12H8N4O4 MolecularWeight: 272.21632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NC3C(=NC(=O)NC3=O)N2)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1C2=NC3C(=NC(=O)NC3=O)N2)C(=O)O

InChI

InChI=1S/C12H8N4O4/c17-10-7-9(15-12(20)16-10)14-8(13-7)5-1-3-6(4-2-5)11(18)19/h1-4,7H,(H,18,19)(H2,13,14,15,16,17,20)