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

Systemtic Name: N2-(4-azanylcyclohexyl)-9-cyclopentyl-N6-[[4-(trifluoromethyl)phenyl]methyl]purine-2,6-diamine Openeye Name: N2-(4-aminocyclohexyl)-9-cyclopentyl-N6-[[4-(trifluoromethyl)phenyl]methyl]purine-2,6-diamine CAS Name: N2-(4-aminocyclohexyl)-9-cyclopentyl-N6-[[4-(trifluoromethyl)phenyl]methyl]purine-2,6-diamine IUPAC Name: 2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-[[4-(trifluoromethyl)phenyl]methyl]purine-2,6-diamine Traditional Name: (4-aminocyclohexyl)-[9-cyclopentyl-6-[[4-(trifluoromethyl)benzyl]amino]purin-2-yl]amine Formula: C24H30F3N7 MolecularWeight: 473.53711

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C=NC3=C2N=C(N=C3NCC4=CC=C(C=C4)C(F)(F)F)NC5CCC(CC5)N

Isomeric SMILES

C1CCC(C1)N2C=NC3=C2N=C(N=C3NCC4=CC=C(C=C4)C(F)(F)F)NC5CCC(CC5)N

InChI

InChI=1S/C24H30F3N7/c25-24(26,27)16-7-5-15(6-8-16)13-29-21-20-22(34(14-30-20)19-3-1-2-4-19)33-23(32-21)31-18-11-9-17(28)10-12-18/h5-8,14,17-19H,1-4,9-13,28H2,(H2,29,31,32,33)