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

Systemtic Name: N2-(4-azanylcyclohexyl)-9-cyclopentyl-N6-(4-phenethylpiperidin-1-yl)purine-2,6-diamine trihydrochloride Openeye Name: N2-(4-aminocyclohexyl)-9-cyclopentyl-N6-(4-phenethyl-1-piperidyl)purine-2,6-diamine trihydrochloride CAS Name: N2-(4-aminocyclohexyl)-9-cyclopentyl-N6-(4-phenethyl-1-piperidinyl)purine-2,6-diamine trihydrochloride IUPAC Name: 2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-(4-phenethylpiperidin-1-yl)purine-2,6-diamine trihydrochloride Traditional Name: (4-aminocyclohexyl)-[9-cyclopentyl-6-[(4-phenethylpiperidino)amino]purin-2-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=C3NN4CCC(CC4)CCC5=CC=CC=C5)NC6CCC(CC6)N.Cl.Cl.Cl

Isomeric SMILES

C1CCC(C1)N2C=NC3=C2N=C(N=C3NN4CCC(CC4)CCC5=CC=CC=C5)NC6CCC(CC6)N.Cl.Cl.Cl

InChI

InChI=1S/C29H42N8.3ClH/c30-23-12-14-24(15-13-23)32-29-33-27(26-28(34-29)37(20-31-26)25-8-4-5-9-25)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