[3-(6-aminopurin-9-yl)-1-(cyclohexylcarbonyloxymethyl)cyclobutyl]methyl cyclohexanecarboxylate

Systemtic Name: [3-(6-aminopurin-9-yl)-1-(cyclohexylcarbonyloxymethyl)cyclobutyl]methyl cyclohexanecarboxylate Openeye Name: [3-(6-aminopurin-9-yl)-1-(cyclohexanecarbonyloxymethyl)cyclobutyl]methyl cyclohexanecarboxylate CAS Name: cyclohexanecarboxylic acid [3-(6-aminopurin-9-yl)-1-[[cyclohexyl(oxo)methoxy]methyl]cyclobutyl]methyl ester IUPAC Name: [3-(6-aminopurin-9-yl)-1-(cyclohexanecarbonyloxymethyl)cyclobutyl]methyl cyclohexanecarboxylate Traditional Name: cyclohexanecarboxylic acid [3-adenin-9-yl-1-(cyclohexanecarbonyloxymethyl)cyclobutyl]methyl ester Formula: C25H35N5O4 MolecularWeight: 469.5765

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)OCC2(CC(C2)N3C=NC4=C3N=CN=C4N)COC(=O)C5CCCCC5

Isomeric SMILES

C1CCC(CC1)C(=O)OCC2(CC(C2)N3C=NC4=C3N=CN=C4N)COC(=O)C5CCCCC5

InChI

InChI=1S/C25H35N5O4/c26-21-20-22(28-15-27-21)30(16-29-20)19-11-25(12-19,13-33-23(31)17-7-3-1-4-8-17)14-34-24(32)18-9-5-2-6-10-18/h15-19H,1-14H2,(H2,26,27,28)