2-[6-[(3-cyclopentyloxyphenyl)methylamino]purin-9-yl]-4-oxidanyl-oxolane-2-carboxylic acid

Systemtic Name: 2-[6-[(3-cyclopentyloxyphenyl)methylamino]purin-9-yl]-4-oxidanyl-oxolane-2-carboxylic acid Openeye Name: 2-[6-[[3-(cyclopentoxy)phenyl]methylamino]purin-9-yl]-4-hydroxy-tetrahydrofuran-2-carboxylic acid CAS Name: 2-[6-[(3-cyclopentyloxyphenyl)methylamino]-9-purinyl]-4-hydroxy-2-oxolanecarboxylic acid IUPAC Name: 2-[6-[(3-cyclopentyloxyphenyl)methylamino]purin-9-yl]-4-hydroxyoxolane-2-carboxylic acid Traditional Name: 2-[6-[[3-(cyclopentoxy)benzyl]amino]purin-9-yl]-4-hydroxy-tetrahydrofuran-2-carboxylic acid Formula: C22H25N5O5 MolecularWeight: 439.4644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)OC2=CC=CC(=C2)CNC3=NC=NC4=C3N=CN4C5(CC(CO5)O)C(=O)O

Isomeric SMILES

C1CCC(C1)OC2=CC=CC(=C2)CNC3=NC=NC4=C3N=CN4C5(CC(CO5)O)C(=O)O

InChI

InChI=1S/C22H25N5O5/c28-15-9-22(21(29)30,31-11-15)27-13-26-18-19(24-12-25-20(18)27)23-10-14-4-3-7-17(8-14)32-16-5-1-2-6-16/h3-4,7-8,12-13,15-16,28H,1-2,5-6,9-11H2,(H,29,30)(H,23,24,25)