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

Systemtic Name: [5-[2-azanyl-6-(2-methoxyethoxy)purin-9-yl]-4-oxidanyl-2-(phenylcarbonyloxymethyl)cyclohexyl]methyl benzoate Openeye Name: [5-[2-amino-6-(2-methoxyethoxy)purin-9-yl]-2-(benzoyloxymethyl)-4-hydroxy-cyclohexyl]methyl benzoate CAS Name: benzoic acid [5-[2-amino-6-(2-methoxyethoxy)-9-purinyl]-2-(benzoyloxymethyl)-4-hydroxycyclohexyl]methyl ester IUPAC Name: [5-[2-amino-6-(2-methoxyethoxy)purin-9-yl]-2-(benzoyloxymethyl)-4-hydroxycyclohexyl]methyl benzoate Traditional Name: benzoic acid [5-[2-amino-6-(2-methoxyethoxy)purin-9-yl]-2-(benzoyloxymethyl)-4-hydroxy-cyclohexyl]methyl ester Formula: C30H33N5O7 MolecularWeight: 575.61232

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC1=NC(=NC2=C1N=CN2C3CC(C(CC3O)COC(=O)C4=CC=CC=C4)COC(=O)C5=CC=CC=C5)N

Isomeric SMILES

COCCOC1=NC(=NC2=C1N=CN2C3CC(C(CC3O)COC(=O)C4=CC=CC=C4)COC(=O)C5=CC=CC=C5)N

InChI

InChI=1S/C30H33N5O7/c1-39-12-13-40-27-25-26(33-30(31)34-27)35(18-32-25)23-14-21(16-41-28(37)19-8-4-2-5-9-19)22(15-24(23)36)17-42-29(38)20-10-6-3-7-11-20/h2-11,18,21-24,36H,12-17H2,1H3,(H2,31,33,34)