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

Systemtic Name: methyl 4-[[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]methyl]benzoate Openeye Name: methyl 4-[(1,3-dimethyl-2,6-dioxo-purin-7-yl)methyl]benzoate CAS Name: 4-[(1,3-dimethyl-2,6-dioxo-7-purinyl)methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(1,3-dimethyl-2,6-dioxopurin-7-yl)methyl]benzoate Traditional Name: 4-[(2,6-diketo-1,3-dimethyl-purin-7-yl)methyl]benzoic acid methyl ester Formula: C16H16N4O4 MolecularWeight: 328.32264

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C16H16N4O4/c1-18-13-12(14(21)19(2)16(18)23)20(9-17-13)8-10-4-6-11(7-5-10)15(22)24-3/h4-7,9H,8H2,1-3H3