4-[1,3,7-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]benzoic acid

Systemtic Name: 4-[1,3,7-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]benzoic acid Openeye Name: 4-(1,3,7-trimethyl-2,6-dioxo-purin-8-yl)benzoic acid CAS Name: 4-(1,3,7-trimethyl-2,6-dioxo-8-purinyl)benzoic acid IUPAC Name: 4-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)benzoic acid Traditional Name: 4-(2,6-diketo-1,3,7-trimethyl-purin-8-yl)benzoic acid Formula: C15H14N4O4 MolecularWeight: 314.29606

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1C3=CC=C(C=C3)C(=O)O)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CN1C2=C(N=C1C3=CC=C(C=C3)C(=O)O)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C15H14N4O4/c1-17-10-12(18(2)15(23)19(3)13(10)20)16-11(17)8-4-6-9(7-5-8)14(21)22/h4-7H,1-3H3,(H,21,22)