[5-(6-phenacylpurin-9-yl)-3,4-bis(phenylcarbonyloxy)oxolan-2-yl]methyl benzoate

Systemtic Name: [5-(6-phenacylpurin-9-yl)-3,4-bis(phenylcarbonyloxy)oxolan-2-yl]methyl benzoate Openeye Name: [3,4-dibenzoyloxy-5-(6-phenacylpurin-9-yl)tetrahydrofuran-2-yl]methyl benzoate CAS Name: benzoic acid [3,4-dibenzoyloxy-5-(6-phenacyl-9-purinyl)-2-oxolanyl]methyl ester IUPAC Name: [3,4-dibenzoyloxy-5-(6-phenacylpurin-9-yl)oxolan-2-yl]methyl benzoate Traditional Name: benzoic acid [3,4-dibenzoyloxy-5-(6-phenacylpurin-9-yl)tetrahydrofuran-2-yl]methyl ester Formula: C39H30N4O8 MolecularWeight: 682.6775

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CC2=C3C(=NC=N2)N(C=N3)C4C(C(C(O4)COC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)OC(=O)C7=CC=CC=C7

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CC2=C3C(=NC=N2)N(C=N3)C4C(C(C(O4)COC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)OC(=O)C7=CC=CC=C7

InChI

InChI=1S/C39H30N4O8/c44-30(25-13-5-1-6-14-25)21-29-32-35(41-23-40-29)43(24-42-32)36-34(51-39(47)28-19-11-4-12-20-28)33(50-38(46)27-17-9-3-10-18-27)31(49-36)22-48-37(45)26-15-7-2-8-16-26/h1-20,23-24,31,33-34,36H,21-22H2