methyl 4-[1,3,7-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]benzoate

Systemtic Name: methyl 4-[1,3,7-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]benzoate Openeye Name: methyl 4-(1,3,7-trimethyl-2,6-dioxo-purin-8-yl)benzoate CAS Name: 4-(1,3,7-trimethyl-2,6-dioxo-8-purinyl)benzoic acid methyl ester IUPAC Name: methyl 4-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)benzoate Traditional Name: 4-(2,6-diketo-1,3,7-trimethyl-purin-8-yl)benzoic acid methyl ester Formula: C16H16N4O4 MolecularWeight: 328.32264

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1C3=CC=C(C=C3)C(=O)OC)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CN1C2=C(N=C1C3=CC=C(C=C3)C(=O)OC)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C16H16N4O4/c1-18-11-13(19(2)16(23)20(3)14(11)21)17-12(18)9-5-7-10(8-6-9)15(22)24-4/h5-8H,1-4H3