[5-[6-(2-methoxyethoxy)purin-7-yl]-4-phenoxycarbothioyloxy-2-(phenylcarbonyloxymethyl)cyclohexyl]methyl benzoate

Systemtic Name: [5-[6-(2-methoxyethoxy)purin-7-yl]-4-phenoxycarbothioyloxy-2-(phenylcarbonyloxymethyl)cyclohexyl]methyl benzoate Openeye Name: [2-(benzoyloxymethyl)-5-[6-(2-methoxyethoxy)purin-7-yl]-4-phenoxycarbothioyloxy-cyclohexyl]methyl benzoate CAS Name: benzoic acid [2-(benzoyloxymethyl)-5-[6-(2-methoxyethoxy)-7-purinyl]-4-[phenoxy(sulfanylidene)methoxy]cyclohexyl]methyl ester IUPAC Name: [2-(benzoyloxymethyl)-5-[6-(2-methoxyethoxy)purin-7-yl]-4-phenoxycarbothioyloxycyclohexyl]methyl benzoate Traditional Name: benzoic acid [2-(benzoyloxymethyl)-5-[6-(2-methoxyethoxy)purin-7-yl]-4-phenoxycarbothioyloxy-cyclohexyl]methyl ester Formula: C37H36N4O8S MolecularWeight: 696.76874

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC1=NC=NC2=C1N(C=N2)C3CC(C(CC3OC(=S)OC4=CC=CC=C4)COC(=O)C5=CC=CC=C5)COC(=O)C6=CC=CC=C6

Isomeric SMILES

COCCOC1=NC=NC2=C1N(C=N2)C3CC(C(CC3OC(=S)OC4=CC=CC=C4)COC(=O)C5=CC=CC=C5)COC(=O)C6=CC=CC=C6

InChI

InChI=1S/C37H36N4O8S/c1-44-17-18-45-34-32-33(38-23-39-34)40-24-41(32)30-19-27(21-46-35(42)25-11-5-2-6-12-25)28(22-47-36(43)26-13-7-3-8-14-26)20-31(30)49-37(50)48-29-15-9-4-10-16-29/h2-16,23-24,27-28,30-31H,17-22H2,1H3