N2-(4-azanylcyclohexyl)-9-cyclopentyl-N6-[1-(diethylamino)propyl]purine-2,6-diamine trihydrochloride

Systemtic Name: N2-(4-azanylcyclohexyl)-9-cyclopentyl-N6-[1-(diethylamino)propyl]purine-2,6-diamine trihydrochloride Openeye Name: N2-(4-aminocyclohexyl)-9-cyclopentyl-N6-[1-(diethylamino)propyl]purine-2,6-diamine trihydrochloride CAS Name: N2-(4-aminocyclohexyl)-9-cyclopentyl-N6-[1-(diethylamino)propyl]purine-2,6-diamine trihydrochloride IUPAC Name: 2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-[1-(diethylamino)propyl]purine-2,6-diamine trihydrochloride Traditional Name: 1-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]propyl-diethyl-amine trihydrochloride Formula: C23H43Cl3N8 MolecularWeight: 538.00012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(NC1=NC(=NC2=C1N=CN2C3CCCC3)NC4CCC(CC4)N)N(CC)CC.Cl.Cl.Cl

Isomeric SMILES

CCC(NC1=NC(=NC2=C1N=CN2C3CCCC3)NC4CCC(CC4)N)N(CC)CC.Cl.Cl.Cl

InChI

InChI=1S/C23H40N8.3ClH/c1-4-19(30(5-2)6-3)27-21-20-22(31(15-25-20)18-9-7-8-10-18)29-23(28-21)26-17-13-11-16(24)12-14-17;;;/h15-19H,4-14,24H2,1-3H3,(H2,26,27,28,29);3*1H