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

Systemtic Name: [5-(6-phenacylsulfanylpurin-9-yl)-3,4-bis(phenylcarbonyloxy)oxolan-2-yl]methyl benzoate Openeye Name: [3,4-dibenzoyloxy-5-(6-phenacylsulfanylpurin-9-yl)tetrahydrofuran-2-yl]methyl benzoate CAS Name: benzoic acid [3,4-dibenzoyloxy-5-[6-(phenacylthio)-9-purinyl]-2-oxolanyl]methyl ester IUPAC Name: [3,4-dibenzoyloxy-5-(6-phenacylsulfanylpurin-9-yl)oxolan-2-yl]methyl benzoate Traditional Name: benzoic acid [3,4-dibenzoyloxy-5-[6-(phenacylthio)purin-9-yl]tetrahydrofuran-2-yl]methyl ester Formula: C39H30N4O8S MolecularWeight: 714.7425

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CSC2=NC=NC3=C2N=CN3C4C(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)CSC2=NC=NC3=C2N=CN3C4C(C(C(O4)COC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)OC(=O)C7=CC=CC=C7

InChI

InChI=1S/C39H30N4O8S/c44-29(25-13-5-1-6-14-25)22-52-35-31-34(40-23-41-35)43(24-42-31)36-33(51-39(47)28-19-11-4-12-20-28)32(50-38(46)27-17-9-3-10-18-27)30(49-36)21-48-37(45)26-15-7-2-8-16-26/h1-20,23-24,30,32-33,36H,21-22H2