[7-(2-hydroxyethyl)-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl] benzoate

Systemtic Name: [7-(2-hydroxyethyl)-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl] benzoate Openeye Name: [7-(2-hydroxyethyl)-1,3-dimethyl-2,6-dioxo-purin-8-yl] benzoate CAS Name: benzoic acid [7-(2-hydroxyethyl)-1,3-dimethyl-2,6-dioxo-8-purinyl] ester IUPAC Name: [7-(2-hydroxyethyl)-1,3-dimethyl-2,6-dioxopurin-8-yl] benzoate Traditional Name: benzoic acid [7-(2-hydroxyethyl)-2,6-diketo-1,3-dimethyl-purin-8-yl] ester Formula: C16H16N4O5 MolecularWeight: 344.32204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N4O5/c1-18-12-11(13(22)19(2)16(18)24)20(8-9-21)15(17-12)25-14(23)10-6-4-3-5-7-10/h3-7,21H,8-9H2,1-2H3