N2-(4-azanylcyclohexyl)-9-cyclopentyl-N6-(2-diethylaminoethyl)purine-2,6-diamine trihydrochloride

Systemtic Name: N2-(4-azanylcyclohexyl)-9-cyclopentyl-N6-(2-diethylaminoethyl)purine-2,6-diamine trihydrochloride Openeye Name: N2-(4-aminocyclohexyl)-9-cyclopentyl-N6-(2-diethylaminoethyl)purine-2,6-diamine trihydrochloride CAS Name: N2-(4-aminocyclohexyl)-9-cyclopentyl-N6-(2-diethylaminoethyl)purine-2,6-diamine trihydrochloride IUPAC Name: 2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-(2-diethylaminoethyl)purine-2,6-diamine trihydrochloride Traditional Name: 2-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]ethyl-diethyl-amine trihydrochloride Formula: C22H41Cl3N8 MolecularWeight: 523.97354

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC1=NC(=NC2=C1N=CN2C3CCCC3)NC4CCC(CC4)N.Cl.Cl.Cl

Isomeric SMILES

CCN(CC)CCNC1=NC(=NC2=C1N=CN2C3CCCC3)NC4CCC(CC4)N.Cl.Cl.Cl

InChI

InChI=1S/C22H38N8.3ClH/c1-3-29(4-2)14-13-24-20-19-21(30(15-25-19)18-7-5-6-8-18)28-22(27-20)26-17-11-9-16(23)10-12-17;;;/h15-18H,3-14,23H2,1-2H3,(H2,24,26,27,28);3*1H