[5-(6-benzamidopurin-7-yl)-4-methylsulfanyl-3-(phenylcarbonyloxy)oxolan-2-yl]methyl benzoate

Systemtic Name: [5-(6-benzamidopurin-7-yl)-4-methylsulfanyl-3-(phenylcarbonyloxy)oxolan-2-yl]methyl benzoate Openeye Name: [5-(6-benzamidopurin-7-yl)-3-benzoyloxy-4-methylsulfanyl-tetrahydrofuran-2-yl]methyl benzoate CAS Name: benzoic acid [5-(6-benzamido-7-purinyl)-3-benzoyloxy-4-(methylthio)-2-oxolanyl]methyl ester IUPAC Name: [5-(6-benzamidopurin-7-yl)-3-benzoyloxy-4-methylsulfanyloxolan-2-yl]methyl benzoate Traditional Name: benzoic acid [5-(6-benzamidopurin-7-yl)-3-benzoyloxy-4-(methylthio)tetrahydrofuran-2-yl]methyl ester Formula: C32H27N5O6S MolecularWeight: 609.65168

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Descriptors Computed from Structure

Canonical SMILES:

CSC1C(C(OC1N2C=NC3=C2C(=NC=N3)NC(=O)C4=CC=CC=C4)COC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6

Isomeric SMILES

CSC1C(C(OC1N2C=NC3=C2C(=NC=N3)NC(=O)C4=CC=CC=C4)COC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6

InChI

InChI=1S/C32H27N5O6S/c1-44-26-25(43-32(40)22-15-9-4-10-16-22)23(17-41-31(39)21-13-7-3-8-14-21)42-30(26)37-19-35-27-24(37)28(34-18-33-27)36-29(38)20-11-5-2-6-12-20/h2-16,18-19,23,25-26,30H,17H2,1H3,(H,33,34,36,38)