N2-(4-azanylcyclohexyl)-9-cyclopentyl-N6-[4-(naphthalen-2-ylmethyl)piperidin-1-yl]purine-2,6-diamine trihydrochloride

Systemtic Name: N2-(4-azanylcyclohexyl)-9-cyclopentyl-N6-[4-(naphthalen-2-ylmethyl)piperidin-1-yl]purine-2,6-diamine trihydrochloride Openeye Name: N2-(4-aminocyclohexyl)-9-cyclopentyl-N6-[4-(2-naphthylmethyl)-1-piperidyl]purine-2,6-diamine trihydrochloride CAS Name: N2-(4-aminocyclohexyl)-9-cyclopentyl-N6-[4-(2-naphthalenylmethyl)-1-piperidinyl]purine-2,6-diamine trihydrochloride IUPAC Name: 2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-[4-(naphthalen-2-ylmethyl)piperidin-1-yl]purine-2,6-diamine trihydrochloride Traditional Name: (4-aminocyclohexyl)-[9-cyclopentyl-6-[[4-(2-naphthylmethyl)piperidino]amino]purin-2-yl]amine trihydrochloride Formula: C32H45Cl3N8 MolecularWeight: 648.1123

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C=NC3=C2N=C(N=C3NN4CCC(CC4)CC5=CC6=CC=CC=C6C=C5)NC7CCC(CC7)N.Cl.Cl.Cl

Isomeric SMILES

C1CCC(C1)N2C=NC3=C2N=C(N=C3NN4CCC(CC4)CC5=CC6=CC=CC=C6C=C5)NC7CCC(CC7)N.Cl.Cl.Cl

InChI

InChI=1S/C32H42N8.3ClH/c33-26-11-13-27(14-12-26)35-32-36-30(29-31(37-32)40(21-34-29)28-7-3-4-8-28)38-39-17-15-22(16-18-39)19-23-9-10-24-5-1-2-6-25(24)20-23;;;/h1-2,5-6,9-10,20-22,26-28H,3-4,7-8,11-19,33H2,(H2,35,36,37,38);3*1H