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

Systemtic Name: N6-(4-azanylcyclohexyl)-9-cyclopentyl-N2-[4-(phenylmethyl)piperidin-1-yl]purine-2,6-diamine trihydrochloride Openeye Name: N6-(4-aminocyclohexyl)-N2-(4-benzyl-1-piperidyl)-9-cyclopentyl-purine-2,6-diamine trihydrochloride CAS Name: N6-(4-aminocyclohexyl)-9-cyclopentyl-N2-[4-(phenylmethyl)-1-piperidinyl]purine-2,6-diamine trihydrochloride IUPAC Name: 6-N-(4-aminocyclohexyl)-2-N-(4-benzylpiperidin-1-yl)-9-cyclopentylpurine-2,6-diamine trihydrochloride Traditional Name: (4-aminocyclohexyl)-[2-[(4-benzylpiperidino)amino]-9-cyclopentyl-purin-6-yl]amine trihydrochloride Formula: C28H43Cl3N8 MolecularWeight: 598.05362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C=NC3=C2N=C(N=C3NC4CCC(CC4)N)NN5CCC(CC5)CC6=CC=CC=C6.Cl.Cl.Cl

Isomeric SMILES

C1CCC(C1)N2C=NC3=C2N=C(N=C3NC4CCC(CC4)N)NN5CCC(CC5)CC6=CC=CC=C6.Cl.Cl.Cl

InChI

InChI=1S/C28H40N8.3ClH/c29-22-10-12-23(13-11-22)31-26-25-27(36(19-30-25)24-8-4-5-9-24)33-28(32-26)34-35-16-14-21(15-17-35)18-20-6-2-1-3-7-20;;;/h1-3,6-7,19,21-24H,4-5,8-18,29H2,(H2,31,32,33,34);3*1H