[(1S,2R)-2-(6-aminopurin-9-yl)cyclopentyl] benzoate

Systemtic Name: [(1S,2R)-2-(6-aminopurin-9-yl)cyclopentyl] benzoate Openeye Name: [(1S,2R)-2-(6-aminopurin-9-yl)cyclopentyl] benzoate CAS Name: benzoic acid [(1S,2R)-2-(6-aminopurin-9-yl)cyclopentyl] ester IUPAC Name: [(1S,2R)-2-(6-aminopurin-9-yl)cyclopentyl] benzoate Traditional Name: benzoic acid [(1S,2R)-2-adenin-9-ylcyclopentyl] ester Formula: C17H17N5O2 MolecularWeight: 323.34918

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(C1)OC(=O)C2=CC=CC=C2)N3C=NC4=C3N=CN=C4N

Isomeric SMILES

C1C[C@H]([C@H](C1)OC(=O)C2=CC=CC=C2)N3C=NC4=C3N=CN=C4N

InChI

InChI=1S/C17H17N5O2/c18-15-14-16(20-9-19-15)22(10-21-14)12-7-4-8-13(12)24-17(23)11-5-2-1-3-6-11/h1-3,5-6,9-10,12-13H,4,7-8H2,(H2,18,19,20)/t12-,13+/m1/s1