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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CC3=CC=C(C=C3)C(=O)OC

InChI

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