[5-[6-(2-methoxyethoxy)-7H-purin-8-yl]-4-oxidanyl-2-(phenylcarbonyloxymethyl)cyclohexyl]methyl benzoate

Systemtic Name: [5-[6-(2-methoxyethoxy)-7H-purin-8-yl]-4-oxidanyl-2-(phenylcarbonyloxymethyl)cyclohexyl]methyl benzoate Openeye Name: [2-(benzoyloxymethyl)-4-hydroxy-5-[6-(2-methoxyethoxy)-7H-purin-8-yl]cyclohexyl]methyl benzoate CAS Name: benzoic acid [2-(benzoyloxymethyl)-4-hydroxy-5-[6-(2-methoxyethoxy)-7H-purin-8-yl]cyclohexyl]methyl ester IUPAC Name: [2-(benzoyloxymethyl)-4-hydroxy-5-[6-(2-methoxyethoxy)-7H-purin-8-yl]cyclohexyl]methyl benzoate Traditional Name: benzoic acid [2-(benzoyloxymethyl)-4-hydroxy-5-[6-(2-methoxyethoxy)-7H-purin-8-yl]cyclohexyl]methyl ester Formula: C30H32N4O7 MolecularWeight: 560.59768

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC1=NC=NC2=C1NC(=N2)C3CC(C(CC3O)COC(=O)C4=CC=CC=C4)COC(=O)C5=CC=CC=C5

Isomeric SMILES

COCCOC1=NC=NC2=C1NC(=N2)C3CC(C(CC3O)COC(=O)C4=CC=CC=C4)COC(=O)C5=CC=CC=C5

InChI

InChI=1S/C30H32N4O7/c1-38-12-13-39-28-25-27(31-18-32-28)34-26(33-25)23-14-21(16-40-29(36)19-8-4-2-5-9-19)22(15-24(23)35)17-41-30(37)20-10-6-3-7-11-20/h2-11,18,21-24,35H,12-17H2,1H3,(H,31,32,33,34)