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

Systemtic Name: [5-[2-azanyl-6-(2-methoxyethoxy)purin-9-yl]-4-phenoxysulfanylcarbonyloxy-2-(phenylcarbonyloxymethyl)cyclohexyl]methyl benzoate Openeye Name: [5-[2-amino-6-(2-methoxyethoxy)purin-9-yl]-2-(benzoyloxymethyl)-4-phenoxysulfanylcarbonyloxy-cyclohexyl]methyl benzoate CAS Name: benzoic acid [5-[2-amino-6-(2-methoxyethoxy)-9-purinyl]-2-(benzoyloxymethyl)-4-[oxo-(phenoxythio)methoxy]cyclohexyl]methyl ester IUPAC Name: [5-[2-amino-6-(2-methoxyethoxy)purin-9-yl]-2-(benzoyloxymethyl)-4-phenoxysulfanylcarbonyloxycyclohexyl]methyl benzoate Traditional Name: benzoic acid [5-[2-amino-6-(2-methoxyethoxy)purin-9-yl]-2-(benzoyloxymethyl)-4-(phenoxythio)carbonyloxy-cyclohexyl]methyl ester Formula: C37H37N5O9S MolecularWeight: 727.78278

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC1=NC(=NC2=C1N=CN2C3CC(C(CC3OC(=O)SOC4=CC=CC=C4)COC(=O)C5=CC=CC=C5)COC(=O)C6=CC=CC=C6)N

Isomeric SMILES

COCCOC1=NC(=NC2=C1N=CN2C3CC(C(CC3OC(=O)SOC4=CC=CC=C4)COC(=O)C5=CC=CC=C5)COC(=O)C6=CC=CC=C6)N

InChI

InChI=1S/C37H37N5O9S/c1-46-17-18-47-33-31-32(40-36(38)41-33)42(23-39-31)29-19-26(21-48-34(43)24-11-5-2-6-12-24)27(22-49-35(44)25-13-7-3-8-14-25)20-30(29)50-37(45)52-51-28-15-9-4-10-16-28/h2-16,23,26-27,29-30H,17-22H2,1H3,(H2,38,40,41)