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

Systemtic Name: N2-(4-azanylcyclohexyl)-9-cyclopentyl-N6-[4-(naphthalen-1-ylmethyl)piperidin-1-yl]purine-2,6-diamine trihydrochloride Openeye Name: N2-(4-aminocyclohexyl)-9-cyclopentyl-N6-[4-(1-naphthylmethyl)-1-piperidyl]purine-2,6-diamine trihydrochloride CAS Name: N2-(4-aminocyclohexyl)-9-cyclopentyl-N6-[4-(1-naphthalenylmethyl)-1-piperidinyl]purine-2,6-diamine trihydrochloride IUPAC Name: 2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-[4-(naphthalen-1-ylmethyl)piperidin-1-yl]purine-2,6-diamine trihydrochloride Traditional Name: (4-aminocyclohexyl)-[9-cyclopentyl-6-[[4-(1-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=CC=CC6=CC=CC=C65)NC7CCC(CC7)N.Cl.Cl.Cl

Isomeric SMILES

C1CCC(C1)N2C=NC3=C2N=C(N=C3NN4CCC(CC4)CC5=CC=CC6=CC=CC=C65)NC7CCC(CC7)N.Cl.Cl.Cl

InChI

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