[5-(6-aminopurin-9-yl)-4-phenoxysulfanylcarbonyloxy-2-(phenylcarbonyloxymethyl)cyclohexyl]methyl benzoate

Systemtic Name: [5-(6-aminopurin-9-yl)-4-phenoxysulfanylcarbonyloxy-2-(phenylcarbonyloxymethyl)cyclohexyl]methyl benzoate Openeye Name: [5-(6-aminopurin-9-yl)-2-(benzoyloxymethyl)-4-phenoxysulfanylcarbonyloxy-cyclohexyl]methyl benzoate CAS Name: benzoic acid [5-(6-aminopurin-9-yl)-2-(benzoyloxymethyl)-4-[oxo-(phenoxythio)methoxy]cyclohexyl]methyl ester IUPAC Name: [5-(6-aminopurin-9-yl)-2-(benzoyloxymethyl)-4-phenoxysulfanylcarbonyloxycyclohexyl]methyl benzoate Traditional Name: benzoic acid [5-adenin-9-yl-2-(benzoyloxymethyl)-4-(phenoxythio)carbonyloxy-cyclohexyl]methyl ester Formula: C34H31N5O7S MolecularWeight: 653.70424

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(CC(C1N2C=NC3=C2N=CN=C3N)OC(=O)SOC4=CC=CC=C4)COC(=O)C5=CC=CC=C5)COC(=O)C6=CC=CC=C6

Isomeric SMILES

C1C(C(CC(C1N2C=NC3=C2N=CN=C3N)OC(=O)SOC4=CC=CC=C4)COC(=O)C5=CC=CC=C5)COC(=O)C6=CC=CC=C6

InChI

InChI=1S/C34H31N5O7S/c35-30-29-31(37-20-36-30)39(21-38-29)27-16-24(18-43-32(40)22-10-4-1-5-11-22)25(19-44-33(41)23-12-6-2-7-13-23)17-28(27)45-34(42)47-46-26-14-8-3-9-15-26/h1-15,20-21,24-25,27-28H,16-19H2,(H2,35,36,37)