9-cyclopentyl-N-[4-(trifluoromethyloxy)phenyl]purin-8-amine dihydrochloride

Systemtic Name: 9-cyclopentyl-N-[4-(trifluoromethyloxy)phenyl]purin-8-amine dihydrochloride Openeye Name: 9-cyclopentyl-N-[4-(trifluoromethoxy)phenyl]purin-8-amine dihydrochloride CAS Name: 9-cyclopentyl-N-[4-(trifluoromethoxy)phenyl]-8-purinamine dihydrochloride IUPAC Name: 9-cyclopentyl-N-[4-(trifluoromethoxy)phenyl]purin-8-amine dihydrochloride Traditional Name: (9-cyclopentylpurin-8-yl)-[4-(trifluoromethoxy)phenyl]amine dihydrochloride Formula: C17H18Cl2F3N5O MolecularWeight: 436.25893

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C3=NC=NC=C3N=C2NC4=CC=C(C=C4)OC(F)(F)F.Cl.Cl

Isomeric SMILES

C1CCC(C1)N2C3=NC=NC=C3N=C2NC4=CC=C(C=C4)OC(F)(F)F.Cl.Cl

InChI

InChI=1S/C17H16F3N5O.2ClH/c18-17(19,20)26-13-7-5-11(6-8-13)23-16-24-14-9-21-10-22-15(14)25(16)12-3-1-2-4-12;;/h5-10,12H,1-4H2,(H,23,24);2*1H