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

Systemtic Name: N2-(4-azanylcyclohexyl)-9-cyclopentyl-N6-[4-(trifluoromethyl)phenyl]purine-2,6-diamine Openeye Name: N2-(4-aminocyclohexyl)-9-cyclopentyl-N6-[4-(trifluoromethyl)phenyl]purine-2,6-diamine CAS Name: N2-(4-aminocyclohexyl)-9-cyclopentyl-N6-[4-(trifluoromethyl)phenyl]purine-2,6-diamine IUPAC Name: 2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-[4-(trifluoromethyl)phenyl]purine-2,6-diamine Traditional Name: (4-aminocyclohexyl)-[9-cyclopentyl-6-[4-(trifluoromethyl)anilino]purin-2-yl]amine Formula: C23H28F3N7 MolecularWeight: 459.51053

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C=NC3=C2N=C(N=C3NC4=CC=C(C=C4)C(F)(F)F)NC5CCC(CC5)N

Isomeric SMILES

C1CCC(C1)N2C=NC3=C2N=C(N=C3NC4=CC=C(C=C4)C(F)(F)F)NC5CCC(CC5)N

InChI

InChI=1S/C23H28F3N7/c24-23(25,26)14-5-9-16(10-6-14)29-20-19-21(33(13-28-19)18-3-1-2-4-18)32-22(31-20)30-17-11-7-15(27)8-12-17/h5-6,9-10,13,15,17-18H,1-4,7-8,11-12,27H2,(H2,29,30,31,32)