(4-oxidanyloxolan-2-yl)methyl 3-[2-chloranyl-6-[(4-oxidanylcyclohexyl)amino]purin-9-yl]benzoate

Systemtic Name: (4-oxidanyloxolan-2-yl)methyl 3-[2-chloranyl-6-[(4-oxidanylcyclohexyl)amino]purin-9-yl]benzoate Openeye Name: (4-hydroxytetrahydrofuran-2-yl)methyl 3-[2-chloro-6-[(4-hydroxycyclohexyl)amino]purin-9-yl]benzoate CAS Name: 3-[2-chloro-6-[(4-hydroxycyclohexyl)amino]-9-purinyl]benzoic acid (4-hydroxy-2-oxolanyl)methyl ester IUPAC Name: (4-hydroxyoxolan-2-yl)methyl 3-[2-chloro-6-[(4-hydroxycyclohexyl)amino]purin-9-yl]benzoate Traditional Name: 3-[2-chloro-6-[(4-hydroxycyclohexyl)amino]purin-9-yl]benzoic acid (4-hydroxytetrahydrofuran-2-yl)methyl ester Formula: C23H26ClN5O5 MolecularWeight: 487.93604

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1NC2=NC(=NC3=C2N=CN3C4=CC=CC(=C4)C(=O)OCC5CC(CO5)O)Cl)O

Isomeric SMILES

C1CC(CCC1NC2=NC(=NC3=C2N=CN3C4=CC=CC(=C4)C(=O)OCC5CC(CO5)O)Cl)O

InChI

InChI=1S/C23H26ClN5O5/c24-23-27-20(26-14-4-6-16(30)7-5-14)19-21(28-23)29(12-25-19)15-3-1-2-13(8-15)22(32)34-11-18-9-17(31)10-33-18/h1-3,8,12,14,16-18,30-31H,4-7,9-11H2,(H,26,27,28)