N2-(4-azanylcyclohexyl)-9-cyclopentyl-N6-[2-(trifluoromethyloxy)phenyl]purine-2,6-diamine

Systemtic Name: N2-(4-azanylcyclohexyl)-9-cyclopentyl-N6-[2-(trifluoromethyloxy)phenyl]purine-2,6-diamine Openeye Name: N2-(4-aminocyclohexyl)-9-cyclopentyl-N6-[2-(trifluoromethoxy)phenyl]purine-2,6-diamine CAS Name: N2-(4-aminocyclohexyl)-9-cyclopentyl-N6-[2-(trifluoromethoxy)phenyl]purine-2,6-diamine IUPAC Name: 2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-[2-(trifluoromethoxy)phenyl]purine-2,6-diamine Traditional Name: (4-aminocyclohexyl)-[9-cyclopentyl-6-[2-(trifluoromethoxy)anilino]purin-2-yl]amine Formula: C23H28F3N7O MolecularWeight: 475.50993

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C=NC3=C2N=C(N=C3NC4=CC=CC=C4OC(F)(F)F)NC5CCC(CC5)N

Isomeric SMILES

C1CCC(C1)N2C=NC3=C2N=C(N=C3NC4=CC=CC=C4OC(F)(F)F)NC5CCC(CC5)N

InChI

InChI=1S/C23H28F3N7O/c24-23(25,26)34-18-8-4-3-7-17(18)30-20-19-21(33(13-28-19)16-5-1-2-6-16)32-22(31-20)29-15-11-9-14(27)10-12-15/h3-4,7-8,13-16H,1-2,5-6,9-12,27H2,(H2,29,30,31,32)