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

Systemtic Name: [3,4-bis(phenylcarbonyloxy)-5-(6-sulfanylidene-3H-purin-9-yl)oxolan-2-yl]methyl benzoate Openeye Name: [3,4-dibenzoyloxy-5-(6-thioxo-3H-purin-9-yl)tetrahydrofuran-2-yl]methyl benzoate CAS Name: benzoic acid [3,4-dibenzoyloxy-5-(6-sulfanylidene-3H-purin-9-yl)-2-oxolanyl]methyl ester IUPAC Name: [3,4-dibenzoyloxy-5-(6-sulfanylidene-3H-purin-9-yl)oxolan-2-yl]methyl benzoate Traditional Name: benzoic acid [3,4-dibenzoyloxy-5-(6-thioxo-3H-purin-9-yl)tetrahydrofuran-2-yl]methyl ester Formula: C31H24N4O7S MolecularWeight: 596.60986

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OCC2C(C(C(O2)N3C=NC4=C3NC=NC4=S)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OCC2C(C(C(O2)N3C=NC4=C3NC=NC4=S)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6

InChI

InChI=1S/C31H24N4O7S/c36-29(19-10-4-1-5-11-19)39-16-22-24(41-30(37)20-12-6-2-7-13-20)25(42-31(38)21-14-8-3-9-15-21)28(40-22)35-18-34-23-26(35)32-17-33-27(23)43/h1-15,17-18,22,24-25,28H,16H2,(H,32,33,43)