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

Systemtic Name: [4-(6-aminopurin-9-yl)-2-(phenylcarbonyloxymethyl)cyclohexyl]methyl benzoate Openeye Name: [4-(6-aminopurin-9-yl)-2-(benzoyloxymethyl)cyclohexyl]methyl benzoate CAS Name: benzoic acid [4-(6-aminopurin-9-yl)-2-(benzoyloxymethyl)cyclohexyl]methyl ester IUPAC Name: [4-(6-aminopurin-9-yl)-2-(benzoyloxymethyl)cyclohexyl]methyl benzoate Traditional Name: benzoic acid [4-adenin-9-yl-2-(benzoyloxymethyl)cyclohexyl]methyl ester Formula: C27H27N5O4 MolecularWeight: 485.53438

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(CC1N2C=NC3=C2N=CN=C3N)COC(=O)C4=CC=CC=C4)COC(=O)C5=CC=CC=C5

Isomeric SMILES

C1CC(C(CC1N2C=NC3=C2N=CN=C3N)COC(=O)C4=CC=CC=C4)COC(=O)C5=CC=CC=C5

InChI

InChI=1S/C27H27N5O4/c28-24-23-25(30-16-29-24)32(17-31-23)22-12-11-20(14-35-26(33)18-7-3-1-4-8-18)21(13-22)15-36-27(34)19-9-5-2-6-10-19/h1-10,16-17,20-22H,11-15H2,(H2,28,29,30)