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

Systemtic Name: methyl 4-[3-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]propanoyloxymethyl]benzoate Openeye Name: methyl 4-[3-(1,3-dimethyl-2,6-dioxo-purin-7-yl)propanoyloxymethyl]benzoate CAS Name: 4-[[3-(1,3-dimethyl-2,6-dioxo-7-purinyl)-1-oxopropoxy]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[3-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanoyloxymethyl]benzoate Traditional Name: 4-[3-(2,6-diketo-1,3-dimethyl-purin-7-yl)propanoyloxymethyl]benzoic acid methyl ester Formula: C19H20N4O6 MolecularWeight: 400.3853

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCC(=O)OCC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCC(=O)OCC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C19H20N4O6/c1-21-16-15(17(25)22(2)19(21)27)23(11-20-16)9-8-14(24)29-10-12-4-6-13(7-5-12)18(26)28-3/h4-7,11H,8-10H2,1-3H3