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

Systemtic Name: methyl 4-[2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoyloxymethyl]benzoate Openeye Name: methyl 4-[[2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)acetyl]oxymethyl]benzoate CAS Name: 4-[[2-(1,3-dimethyl-2,6-dioxo-7-purinyl)-1-oxoethoxy]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]oxymethyl]benzoate Traditional Name: 4-[[2-(2,6-diketo-1,3-dimethyl-purin-7-yl)acetyl]oxymethyl]benzoic acid methyl ester Formula: C18H18N4O6 MolecularWeight: 386.35872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N4O6/c1-20-15-14(16(24)21(2)18(20)26)22(10-19-15)8-13(23)28-9-11-4-6-12(7-5-11)17(25)27-3/h4-7,10H,8-9H2,1-3H3