2-[2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoyloxy]benzoic acid

Systemtic Name: 2-[2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoyloxy]benzoic acid Openeye Name: 2-[2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)acetyl]oxybenzoic acid CAS Name: 2-[2-(1,3-dimethyl-2,6-dioxo-7-purinyl)-1-oxoethoxy]benzoic acid IUPAC Name: 2-[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]oxybenzoic acid Traditional Name: 2-[2-(2,6-diketo-1,3-dimethyl-purin-7-yl)acetyl]oxybenzoic acid Formula: C16H14N4O6 MolecularWeight: 358.30556

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)OC3=CC=CC=C3C(=O)O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)OC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C16H14N4O6/c1-18-13-12(14(22)19(2)16(18)25)20(8-17-13)7-11(21)26-10-6-4-3-5-9(10)15(23)24/h3-6,8H,7H2,1-2H3,(H,23,24)