9-cyclopentyl-N-[2-(trifluoromethyloxy)phenyl]purin-2-amine dihydrochloride

Systemtic Name: 9-cyclopentyl-N-[2-(trifluoromethyloxy)phenyl]purin-2-amine dihydrochloride Openeye Name: 9-cyclopentyl-N-[2-(trifluoromethoxy)phenyl]purin-2-amine dihydrochloride CAS Name: 9-cyclopentyl-N-[2-(trifluoromethoxy)phenyl]-2-purinamine dihydrochloride IUPAC Name: 9-cyclopentyl-N-[2-(trifluoromethoxy)phenyl]purin-2-amine dihydrochloride Traditional Name: (9-cyclopentylpurin-2-yl)-[2-(trifluoromethoxy)phenyl]amine dihydrochloride Formula: C17H18Cl2F3N5O MolecularWeight: 436.25893

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C=NC3=CN=C(N=C32)NC4=CC=CC=C4OC(F)(F)F.Cl.Cl

Isomeric SMILES

C1CCC(C1)N2C=NC3=CN=C(N=C32)NC4=CC=CC=C4OC(F)(F)F.Cl.Cl

InChI

InChI=1S/C17H16F3N5O.2ClH/c18-17(19,20)26-14-8-4-3-7-12(14)23-16-21-9-13-15(24-16)25(10-22-13)11-5-1-2-6-11;;/h3-4,7-11H,1-2,5-6H2,(H,21,23,24);2*1H