2-chloranyl-9-cyclopentyl-N-[4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]purin-6-amine

Systemtic Name: 2-chloranyl-9-cyclopentyl-N-[4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]purin-6-amine Openeye Name: 2-chloro-9-cyclopentyl-N-[4-[[2-(trifluoromethyl)phenyl]methyl]-1-piperidyl]purin-6-amine CAS Name: 2-chloro-9-cyclopentyl-N-[4-[[2-(trifluoromethyl)phenyl]methyl]-1-piperidinyl]-6-purinamine IUPAC Name: 2-chloro-9-cyclopentyl-N-[4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]purin-6-amine Traditional Name: (2-chloro-9-cyclopentyl-purin-6-yl)-[4-[2-(trifluoromethyl)benzyl]piperidino]amine Formula: C23H26ClF3N6 MolecularWeight: 478.94095

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C=NC3=C2N=C(N=C3NN4CCC(CC4)CC5=CC=CC=C5C(F)(F)F)Cl

Isomeric SMILES

C1CCC(C1)N2C=NC3=C2N=C(N=C3NN4CCC(CC4)CC5=CC=CC=C5C(F)(F)F)Cl

InChI

InChI=1S/C23H26ClF3N6/c24-22-29-20(19-21(30-22)33(14-28-19)17-6-2-3-7-17)31-32-11-9-15(10-12-32)13-16-5-1-4-8-18(16)23(25,26)27/h1,4-5,8,14-15,17H,2-3,6-7,9-13H2,(H,29,30,31)