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

Systemtic Name: methyl 4-[2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethoxy]benzoate Openeye Name: methyl 4-[2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)ethoxy]benzoate CAS Name: 4-[2-(1,3-dimethyl-2,6-dioxo-7-purinyl)ethoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethoxy]benzoate Traditional Name: 4-[2-(2,6-diketo-1,3-dimethyl-purin-7-yl)ethoxy]benzoic acid methyl ester Formula: C17H18N4O5 MolecularWeight: 358.34862

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCOC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCOC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C17H18N4O5/c1-19-14-13(15(22)20(2)17(19)24)21(10-18-14)8-9-26-12-6-4-11(5-7-12)16(23)25-3/h4-7,10H,8-9H2,1-3H3