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

Systemtic Name: [5-(6-aminopurin-9-yl)-4-oxidanyl-2-(phenylcarbonyloxymethyl)cyclohexyl]methyl benzoate Openeye Name: [5-(6-aminopurin-9-yl)-2-(benzoyloxymethyl)-4-hydroxy-cyclohexyl]methyl benzoate CAS Name: benzoic acid [5-(6-aminopurin-9-yl)-2-(benzoyloxymethyl)-4-hydroxycyclohexyl]methyl ester IUPAC Name: [5-(6-aminopurin-9-yl)-2-(benzoyloxymethyl)-4-hydroxycyclohexyl]methyl benzoate Traditional Name: benzoic acid [5-adenin-9-yl-2-(benzoyloxymethyl)-4-hydroxy-cyclohexyl]methyl ester Formula: C27H27N5O5 MolecularWeight: 501.53378

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(CC(C1N2C=NC3=C2N=CN=C3N)O)COC(=O)C4=CC=CC=C4)COC(=O)C5=CC=CC=C5

Isomeric SMILES

C1C(C(CC(C1N2C=NC3=C2N=CN=C3N)O)COC(=O)C4=CC=CC=C4)COC(=O)C5=CC=CC=C5

InChI

InChI=1S/C27H27N5O5/c28-24-23-25(30-15-29-24)32(16-31-23)21-11-19(13-36-26(34)17-7-3-1-4-8-17)20(12-22(21)33)14-37-27(35)18-9-5-2-6-10-18/h1-10,15-16,19-22,33H,11-14H2,(H2,28,29,30)