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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCOC(=O)C3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCOC(=O)C3=CC=CC=C3

InChI

InChI=1S/C16H16N4O4/c1-18-13-12(14(21)19(2)16(18)23)20(10-17-13)8-9-24-15(22)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3