[3-methyl-7-(3-naphthalen-2-yloxy-2-oxidanyl-propyl)-2,6-bis(oxidanylidene)purin-8-yl] benzoate

Systemtic Name: [3-methyl-7-(3-naphthalen-2-yloxy-2-oxidanyl-propyl)-2,6-bis(oxidanylidene)purin-8-yl] benzoate Openeye Name: [7-[2-hydroxy-3-(2-naphthyloxy)propyl]-3-methyl-2,6-dioxo-purin-8-yl] benzoate CAS Name: benzoic acid [7-[2-hydroxy-3-(2-naphthalenyloxy)propyl]-3-methyl-2,6-dioxo-8-purinyl] ester IUPAC Name: [7-(2-hydroxy-3-naphthalen-2-yloxypropyl)-3-methyl-2,6-dioxopurin-8-yl] benzoate Traditional Name: benzoic acid [7-[2-hydroxy-3-(2-naphthoxy)propyl]-2,6-diketo-3-methyl-purin-8-yl] ester Formula: C26H22N4O6 MolecularWeight: 486.47608

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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)CC(COC4=CC5=CC=CC=C5C=C4)O

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)OC(=O)C3=CC=CC=C3)CC(COC4=CC5=CC=CC=C5C=C4)O

InChI

InChI=1S/C26H22N4O6/c1-29-22-21(23(32)28-25(29)34)30(26(27-22)36-24(33)17-8-3-2-4-9-17)14-19(31)15-35-20-12-11-16-7-5-6-10-18(16)13-20/h2-13,19,31H,14-15H2,1H3,(H,28,32,34)