methyl 2-[1,3,9-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]oxybenzoate

Systemtic Name: methyl 2-[1,3,9-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]oxybenzoate Openeye Name: methyl 2-(1,3,9-trimethyl-2,6-dioxo-purin-8-yl)oxybenzoate CAS Name: 2-[(1,3,9-trimethyl-2,6-dioxo-8-purinyl)oxy]benzoic acid methyl ester IUPAC Name: methyl 2-(1,3,9-trimethyl-2,6-dioxopurin-8-yl)oxybenzoate Traditional Name: 2-(2,6-diketo-1,3,9-trimethyl-purin-8-yl)oxybenzoic acid methyl ester Formula: C16H16N4O5 MolecularWeight: 344.32204

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C(=O)N2C)C)N=C1OC3=CC=CC=C3C(=O)OC

Isomeric SMILES

CN1C2=C(C(=O)N(C(=O)N2C)C)N=C1OC3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C16H16N4O5/c1-18-12-11(13(21)20(3)16(23)19(12)2)17-15(18)25-10-8-6-5-7-9(10)14(22)24-4/h5-8H,1-4H3