[1-(6-aminopurin-9-yl)-2-phenoxysulfanylcarbonyloxy-2-(phenylcarbonyloxymethyl)cyclohexyl]methyl benzoate

Systemtic Name: [1-(6-aminopurin-9-yl)-2-phenoxysulfanylcarbonyloxy-2-(phenylcarbonyloxymethyl)cyclohexyl]methyl benzoate Openeye Name: [1-(6-aminopurin-9-yl)-2-(benzoyloxymethyl)-2-phenoxysulfanylcarbonyloxy-cyclohexyl]methyl benzoate CAS Name: benzoic acid [1-(6-aminopurin-9-yl)-2-(benzoyloxymethyl)-2-[oxo-(phenoxythio)methoxy]cyclohexyl]methyl ester IUPAC Name: [1-(6-aminopurin-9-yl)-2-(benzoyloxymethyl)-2-phenoxysulfanylcarbonyloxycyclohexyl]methyl benzoate Traditional Name: benzoic acid [1-adenin-9-yl-2-(benzoyloxymethyl)-2-(phenoxythio)carbonyloxy-cyclohexyl]methyl ester Formula: C34H31N5O7S MolecularWeight: 653.70424

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)(COC(=O)C2=CC=CC=C2)N3C=NC4=C3N=CN=C4N)(COC(=O)C5=CC=CC=C5)OC(=O)SOC6=CC=CC=C6

Isomeric SMILES

C1CCC(C(C1)(COC(=O)C2=CC=CC=C2)N3C=NC4=C3N=CN=C4N)(COC(=O)C5=CC=CC=C5)OC(=O)SOC6=CC=CC=C6

InChI

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