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

Systemtic Name: [4-[6-(2-methoxyethoxy)-7H-purin-8-yl]-2-(phenylcarbonyloxymethyl)cyclohexyl]methyl benzoate Openeye Name: [2-(benzoyloxymethyl)-4-[6-(2-methoxyethoxy)-7H-purin-8-yl]cyclohexyl]methyl benzoate CAS Name: benzoic acid [2-(benzoyloxymethyl)-4-[6-(2-methoxyethoxy)-7H-purin-8-yl]cyclohexyl]methyl ester IUPAC Name: [2-(benzoyloxymethyl)-4-[6-(2-methoxyethoxy)-7H-purin-8-yl]cyclohexyl]methyl benzoate Traditional Name: benzoic acid [2-(benzoyloxymethyl)-4-[6-(2-methoxyethoxy)-7H-purin-8-yl]cyclohexyl]methyl ester Formula: C30H32N4O6 MolecularWeight: 544.59828

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC1=NC=NC2=C1NC(=N2)C3CCC(C(C3)COC(=O)C4=CC=CC=C4)COC(=O)C5=CC=CC=C5

Isomeric SMILES

COCCOC1=NC=NC2=C1NC(=N2)C3CCC(C(C3)COC(=O)C4=CC=CC=C4)COC(=O)C5=CC=CC=C5

InChI

InChI=1S/C30H32N4O6/c1-37-14-15-38-28-25-27(31-19-32-28)34-26(33-25)22-12-13-23(17-39-29(35)20-8-4-2-5-9-20)24(16-22)18-40-30(36)21-10-6-3-7-11-21/h2-11,19,22-24H,12-18H2,1H3,(H,31,32,33,34)