N2-(4-azanylcyclohexyl)-9-cyclopentyl-6-[(2-fluorophenyl)methyl]-N8-piperidin-1-yl-purine-2,8-diamine trihydrochloride

Systemtic Name: N2-(4-azanylcyclohexyl)-9-cyclopentyl-6-[(2-fluorophenyl)methyl]-N8-piperidin-1-yl-purine-2,8-diamine trihydrochloride Openeye Name: N2-(4-aminocyclohexyl)-9-cyclopentyl-6-[(2-fluorophenyl)methyl]-N8-(1-piperidyl)purine-2,8-diamine trihydrochloride CAS Name: N2-(4-aminocyclohexyl)-9-cyclopentyl-6-[(2-fluorophenyl)methyl]-N8-(1-piperidinyl)purine-2,8-diamine trihydrochloride IUPAC Name: 2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-[(2-fluorophenyl)methyl]-8-N-piperidin-1-ylpurine-2,8-diamine trihydrochloride Traditional Name: (4-aminocyclohexyl)-[9-cyclopentyl-6-(2-fluorobenzyl)-8-(piperidinoamino)purin-2-yl]amine trihydrochloride Formula: C28H42Cl3FN8 MolecularWeight: 616.044083

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)NC2=NC3=C(N=C(N=C3N2C4CCCC4)NC5CCC(CC5)N)CC6=CC=CC=C6F.Cl.Cl.Cl

Isomeric SMILES

C1CCN(CC1)NC2=NC3=C(N=C(N=C3N2C4CCCC4)NC5CCC(CC5)N)CC6=CC=CC=C6F.Cl.Cl.Cl

InChI

InChI=1S/C28H39FN8.3ClH/c29-23-11-5-2-8-19(23)18-24-25-26(34-27(32-24)31-21-14-12-20(30)13-15-21)37(22-9-3-4-10-22)28(33-25)35-36-16-6-1-7-17-36;;;/h2,5,8,11,20-22H,1,3-4,6-7,9-10,12-18,30H2,(H,33,35)(H,31,32,34);3*1H