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

Systemtic Name: [5-(6-methylsulfonylpurin-9-yl)-3,4-bis(phenylcarbonyloxy)oxolan-2-yl]methyl benzoate Openeye Name: [3,4-dibenzoyloxy-5-(6-methylsulfonylpurin-9-yl)tetrahydrofuran-2-yl]methyl benzoate CAS Name: benzoic acid [3,4-dibenzoyloxy-5-(6-methylsulfonyl-9-purinyl)-2-oxolanyl]methyl ester IUPAC Name: [3,4-dibenzoyloxy-5-(6-methylsulfonylpurin-9-yl)oxolan-2-yl]methyl benzoate Traditional Name: benzoic acid [3,4-dibenzoyloxy-5-(6-mesylpurin-9-yl)tetrahydrofuran-2-yl]methyl ester Formula: C32H26N4O9S MolecularWeight: 642.63524

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=NC=NC2=C1N=CN2C3C(C(C(O3)COC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6

Isomeric SMILES

CS(=O)(=O)C1=NC=NC2=C1N=CN2C3C(C(C(O3)COC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6

InChI

InChI=1S/C32H26N4O9S/c1-46(40,41)28-24-27(33-18-34-28)36(19-35-24)29-26(45-32(39)22-15-9-4-10-16-22)25(44-31(38)21-13-7-3-8-14-21)23(43-29)17-42-30(37)20-11-5-2-6-12-20/h2-16,18-19,23,25-26,29H,17H2,1H3