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

Systemtic Name: [4-oxidanyl-5-[6-[(2-oxidanylcyclopentyl)amino]purin-9-yl]oxolan-2-yl]methyl benzoate Openeye Name: [4-hydroxy-5-[6-[(2-hydroxycyclopentyl)amino]purin-9-yl]tetrahydrofuran-2-yl]methyl benzoate CAS Name: benzoic acid [4-hydroxy-5-[6-[(2-hydroxycyclopentyl)amino]-9-purinyl]-2-oxolanyl]methyl ester IUPAC Name: [4-hydroxy-5-[6-[(2-hydroxycyclopentyl)amino]purin-9-yl]oxolan-2-yl]methyl benzoate Traditional Name: benzoic acid [4-hydroxy-5-[6-[(2-hydroxycyclopentyl)amino]purin-9-yl]tetrahydrofuran-2-yl]methyl ester Formula: C22H25N5O5 MolecularWeight: 439.4644

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(C1)O)NC2=NC=NC3=C2N=CN3C4C(CC(O4)COC(=O)C5=CC=CC=C5)O

Isomeric SMILES

C1CC(C(C1)O)NC2=NC=NC3=C2N=CN3C4C(CC(O4)COC(=O)C5=CC=CC=C5)O

InChI

InChI=1S/C22H25N5O5/c28-16-8-4-7-15(16)26-19-18-20(24-11-23-19)27(12-25-18)21-17(29)9-14(32-21)10-31-22(30)13-5-2-1-3-6-13/h1-3,5-6,11-12,14-17,21,28-29H,4,7-10H2,(H,23,24,26)