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

Systemtic Name: [7-(2-hydroxyethyl)-3-methyl-2,6-bis(oxidanylidene)purin-8-yl] benzoate Openeye Name: [7-(2-hydroxyethyl)-3-methyl-2,6-dioxo-purin-8-yl] benzoate CAS Name: benzoic acid [7-(2-hydroxyethyl)-3-methyl-2,6-dioxo-8-purinyl] ester IUPAC Name: [7-(2-hydroxyethyl)-3-methyl-2,6-dioxopurin-8-yl] benzoate Traditional Name: benzoic acid [7-(2-hydroxyethyl)-2,6-diketo-3-methyl-purin-8-yl] ester Formula: C15H14N4O5 MolecularWeight: 330.29546

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)OC(=O)C3=CC=CC=C3)CCO

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)OC(=O)C3=CC=CC=C3)CCO

InChI

InChI=1S/C15H14N4O5/c1-18-11-10(12(21)17-14(18)23)19(7-8-20)15(16-11)24-13(22)9-5-3-2-4-6-9/h2-6,20H,7-8H2,1H3,(H,17,21,23)