N6-(4-azanylcyclohexyl)-9-cyclopentyl-N2-(4-phenethylpiperidin-1-yl)purine-2,6-diamine trihydrochloride

Systemtic Name: N6-(4-azanylcyclohexyl)-9-cyclopentyl-N2-(4-phenethylpiperidin-1-yl)purine-2,6-diamine trihydrochloride Openeye Name: N6-(4-aminocyclohexyl)-9-cyclopentyl-N2-(4-phenethyl-1-piperidyl)purine-2,6-diamine trihydrochloride CAS Name: N6-(4-aminocyclohexyl)-9-cyclopentyl-N2-(4-phenethyl-1-piperidinyl)purine-2,6-diamine trihydrochloride IUPAC Name: 6-N-(4-aminocyclohexyl)-9-cyclopentyl-2-N-(4-phenethylpiperidin-1-yl)purine-2,6-diamine trihydrochloride Traditional Name: (4-aminocyclohexyl)-[9-cyclopentyl-2-[(4-phenethylpiperidino)amino]purin-6-yl]amine trihydrochloride Formula: C29H45Cl3N8 MolecularWeight: 612.0802

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C=NC3=C2N=C(N=C3NC4CCC(CC4)N)NN5CCC(CC5)CCC6=CC=CC=C6.Cl.Cl.Cl

Isomeric SMILES

C1CCC(C1)N2C=NC3=C2N=C(N=C3NC4CCC(CC4)N)NN5CCC(CC5)CCC6=CC=CC=C6.Cl.Cl.Cl

InChI

InChI=1S/C29H42N8.3ClH/c30-23-12-14-24(15-13-23)32-27-26-28(37(20-31-26)25-8-4-5-9-25)34-29(33-27)35-36-18-16-22(17-19-36)11-10-21-6-2-1-3-7-21;;;/h1-3,6-7,20,22-25H,4-5,8-19,30H2,(H2,32,33,34,35);3*1H