N2-(4-azanylcyclohexyl)-N6-[1-(phenylmethyl)piperidin-4-yl]-7H-purine-2,6-diamine trihydrochloride

Systemtic Name: N2-(4-azanylcyclohexyl)-N6-[1-(phenylmethyl)piperidin-4-yl]-7H-purine-2,6-diamine trihydrochloride Openeye Name: N2-(4-aminocyclohexyl)-N6-(1-benzyl-4-piperidyl)-7H-purine-2,6-diamine trihydrochloride CAS Name: N2-(4-aminocyclohexyl)-N6-[1-(phenylmethyl)-4-piperidinyl]-7H-purine-2,6-diamine trihydrochloride IUPAC Name: 2-N-(4-aminocyclohexyl)-6-N-(1-benzylpiperidin-4-yl)-7H-purine-2,6-diamine trihydrochloride Traditional Name: (4-aminocyclohexyl)-[6-[(1-benzyl-4-piperidyl)amino]-7H-purin-2-yl]amine trihydrochloride Formula: C23H35Cl3N8 MolecularWeight: 529.9366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1N)NC2=NC3=C(C(=N2)NC4CCN(CC4)CC5=CC=CC=C5)NC=N3.Cl.Cl.Cl

Isomeric SMILES

C1CC(CCC1N)NC2=NC3=C(C(=N2)NC4CCN(CC4)CC5=CC=CC=C5)NC=N3.Cl.Cl.Cl

InChI

InChI=1S/C23H32N8.3ClH/c24-17-6-8-18(9-7-17)28-23-29-21-20(25-15-26-21)22(30-23)27-19-10-12-31(13-11-19)14-16-4-2-1-3-5-16;;;/h1-5,15,17-19H,6-14,24H2,(H3,25,26,27,28,29,30);3*1H