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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C=NC3=C2N=C(N=C3NC4CCNC(C4)CC5=CC=C(C=C5)C(F)(F)F)Cl

Isomeric SMILES

C1CCC(C1)N2C=NC3=C2N=C(N=C3NC4CCNC(C4)CC5=CC=C(C=C5)C(F)(F)F)Cl

InChI

InChI=1S/C23H26ClF3N6/c24-22-31-20(19-21(32-22)33(13-29-19)18-3-1-2-4-18)30-16-9-10-28-17(12-16)11-14-5-7-15(8-6-14)23(25,26)27/h5-8,13,16-18,28H,1-4,9-12H2,(H,30,31,32)