methyl 4-[2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoyloxy]benzoate

Systemtic Name: methyl 4-[2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoyloxy]benzoate Openeye Name: methyl 4-[2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)acetyl]oxybenzoate CAS Name: 4-[2-(1,3-dimethyl-2,6-dioxo-7-purinyl)-1-oxoethoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]oxybenzoate Traditional Name: 4-[2-(2,6-diketo-1,3-dimethyl-purin-7-yl)acetyl]oxybenzoic acid methyl ester Formula: C17H16N4O6 MolecularWeight: 372.33214

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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=C(C=C3)C(=O)OC

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)OC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C17H16N4O6/c1-19-14-13(15(23)20(2)17(19)25)21(9-18-14)8-12(22)27-11-6-4-10(5-7-11)16(24)26-3/h4-7,9H,8H2,1-3H3