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

Systemtic Name: [5-(2-benzamido-6-methylsulfonyloxy-purin-9-yl)-3,4-bis(phenylcarbonyloxy)oxolan-2-yl]methyl benzoate Openeye Name: [5-(2-benzamido-6-methylsulfonyloxy-purin-9-yl)-3,4-dibenzoyloxy-tetrahydrofuran-2-yl]methyl benzoate CAS Name: benzoic acid [5-(2-benzamido-6-methylsulfonyloxy-9-purinyl)-3,4-dibenzoyloxy-2-oxolanyl]methyl ester IUPAC Name: [5-(2-benzamido-6-methylsulfonyloxypurin-9-yl)-3,4-dibenzoyloxyoxolan-2-yl]methyl benzoate Traditional Name: benzoic acid [5-(2-benzamido-6-methylsulfonyloxy-purin-9-yl)-3,4-dibenzoyloxy-tetrahydrofuran-2-yl]methyl ester Formula: C39H31N5O11S MolecularWeight: 777.75534

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1=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)NC(=O)C7=CC=CC=C7

Isomeric SMILES

CS(=O)(=O)OC1=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)NC(=O)C7=CC=CC=C7

InChI

InChI=1S/C39H31N5O11S/c1-56(49,50)55-34-29-32(41-39(43-34)42-33(45)24-14-6-2-7-15-24)44(23-40-29)35-31(54-38(48)27-20-12-5-13-21-27)30(53-37(47)26-18-10-4-11-19-26)28(52-35)22-51-36(46)25-16-8-3-9-17-25/h2-21,23,28,30-31,35H,22H2,1H3,(H,41,42,43,45)