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

Systemtic Name: [4-oxidanyl-5-[6-[(2-oxidanylcyclohexyl)amino]purin-9-yl]oxolan-2-yl]methyl benzoate Openeye Name: [4-hydroxy-5-[6-[(2-hydroxycyclohexyl)amino]purin-9-yl]tetrahydrofuran-2-yl]methyl benzoate CAS Name: benzoic acid [4-hydroxy-5-[6-[(2-hydroxycyclohexyl)amino]-9-purinyl]-2-oxolanyl]methyl ester IUPAC Name: [4-hydroxy-5-[6-[(2-hydroxycyclohexyl)amino]purin-9-yl]oxolan-2-yl]methyl benzoate Traditional Name: benzoic acid [4-hydroxy-5-[6-[(2-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:

C1CCC(C(C1)NC2=NC=NC3=C2N=CN3C4C(CC(O4)COC(=O)C5=CC=CC=C5)O)O

Isomeric SMILES

C1CCC(C(C1)NC2=NC=NC3=C2N=CN3C4C(CC(O4)COC(=O)C5=CC=CC=C5)O)O

InChI

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