[5-[6-[(4-oxidanylcyclohexyl)amino]purin-9-yl]oxolan-2-yl]methyl 4-oxidanylbenzoate

Systemtic Name: [5-[6-[(4-oxidanylcyclohexyl)amino]purin-9-yl]oxolan-2-yl]methyl 4-oxidanylbenzoate Openeye Name: [5-[6-[(4-hydroxycyclohexyl)amino]purin-9-yl]tetrahydrofuran-2-yl]methyl 4-hydroxybenzoate CAS Name: 4-hydroxybenzoic acid [5-[6-[(4-hydroxycyclohexyl)amino]-9-purinyl]-2-oxolanyl]methyl ester IUPAC Name: [5-[6-[(4-hydroxycyclohexyl)amino]purin-9-yl]oxolan-2-yl]methyl 4-hydroxybenzoate Traditional Name: 4-hydroxybenzoic acid [5-[6-[(4-hydroxycyclohexyl)amino]purin-9-yl]tetrahydrofuran-2-yl]methyl ester Formula: C23H27N5O5 MolecularWeight: 453.49098

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1NC2=NC=NC3=C2N=CN3C4CCC(O4)COC(=O)C5=CC=C(C=C5)O)O

Isomeric SMILES

C1CC(CCC1NC2=NC=NC3=C2N=CN3C4CCC(O4)COC(=O)C5=CC=C(C=C5)O)O

InChI

InChI=1S/C23H27N5O5/c29-16-5-1-14(2-6-16)23(31)32-11-18-9-10-19(33-18)28-13-26-20-21(24-12-25-22(20)28)27-15-3-7-17(30)8-4-15/h1-2,5-6,12-13,15,17-19,29-30H,3-4,7-11H2,(H,24,25,27)