3-azanyl-5-[6-[(3-cyclopentyloxyphenyl)methylamino]purin-9-yl]-4-oxidanyl-oxolane-2-carboxylic acid

Systemtic Name: 3-azanyl-5-[6-[(3-cyclopentyloxyphenyl)methylamino]purin-9-yl]-4-oxidanyl-oxolane-2-carboxylic acid Openeye Name: 3-amino-5-[6-[[3-(cyclopentoxy)phenyl]methylamino]purin-9-yl]-4-hydroxy-tetrahydrofuran-2-carboxylic acid CAS Name: 3-amino-5-[6-[(3-cyclopentyloxyphenyl)methylamino]-9-purinyl]-4-hydroxy-2-oxolanecarboxylic acid IUPAC Name: 3-amino-5-[6-[(3-cyclopentyloxyphenyl)methylamino]purin-9-yl]-4-hydroxyoxolane-2-carboxylic acid Traditional Name: 3-amino-5-[6-[[3-(cyclopentoxy)benzyl]amino]purin-9-yl]-4-hydroxy-tetrahydrofuran-2-carboxylic acid Formula: C22H26N6O5 MolecularWeight: 454.47904

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)OC2=CC=CC(=C2)CNC3=NC=NC4=C3N=CN4C5C(C(C(O5)C(=O)O)N)O

Isomeric SMILES

C1CCC(C1)OC2=CC=CC(=C2)CNC3=NC=NC4=C3N=CN4C5C(C(C(O5)C(=O)O)N)O

InChI

InChI=1S/C22H26N6O5/c23-15-17(29)21(33-18(15)22(30)31)28-11-27-16-19(25-10-26-20(16)28)24-9-12-4-3-7-14(8-12)32-13-5-1-2-6-13/h3-4,7-8,10-11,13,15,17-18,21,29H,1-2,5-6,9,23H2,(H,30,31)(H,24,25,26)