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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1OC(=O)C3=CC=CC=C3)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CN1C2=C(N=C1OC(=O)C3=CC=CC=C3)N(C(=O)N(C2=O)C)C

InChI

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