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

Systemtic Name: [4-[2-azanyl-6-(2-methoxyethoxy)purin-9-yl]-2-(phenylcarbonyloxymethyl)cyclohexyl]methyl benzoate Openeye Name: [4-[2-amino-6-(2-methoxyethoxy)purin-9-yl]-2-(benzoyloxymethyl)cyclohexyl]methyl benzoate CAS Name: benzoic acid [4-[2-amino-6-(2-methoxyethoxy)-9-purinyl]-2-(benzoyloxymethyl)cyclohexyl]methyl ester IUPAC Name: [4-[2-amino-6-(2-methoxyethoxy)purin-9-yl]-2-(benzoyloxymethyl)cyclohexyl]methyl benzoate Traditional Name: benzoic acid [4-[2-amino-6-(2-methoxyethoxy)purin-9-yl]-2-(benzoyloxymethyl)cyclohexyl]methyl ester Formula: C30H33N5O6 MolecularWeight: 559.61292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCOC1=NC(=NC2=C1N=CN2C3CCC(C(C3)COC(=O)C4=CC=CC=C4)COC(=O)C5=CC=CC=C5)N

Isomeric SMILES

COCCOC1=NC(=NC2=C1N=CN2C3CCC(C(C3)COC(=O)C4=CC=CC=C4)COC(=O)C5=CC=CC=C5)N

InChI

InChI=1S/C30H33N5O6/c1-38-14-15-39-27-25-26(33-30(31)34-27)35(19-32-25)24-13-12-22(17-40-28(36)20-8-4-2-5-9-20)23(16-24)18-41-29(37)21-10-6-3-7-11-21/h2-11,19,22-24H,12-18H2,1H3,(H2,31,33,34)