N1-(9-cyclopentylpurin-2-yl)-N1',N1'-diethyl-ethane-1,1-diamine trihydrochloride

Systemtic Name: N1-(9-cyclopentylpurin-2-yl)-N1',N1'-diethyl-ethane-1,1-diamine trihydrochloride Openeye Name: N1-(9-cyclopentylpurin-2-yl)-N1',N1'-diethyl-ethane-1,1-diamine trihydrochloride CAS Name: N1-(9-cyclopentyl-2-purinyl)-N1',N1'-diethylethane-1,1-diamine trihydrochloride IUPAC Name: 1-N-(9-cyclopentylpurin-2-yl)-1-N',1-N'-diethylethane-1,1-diamine trihydrochloride Traditional Name: 1-[(9-cyclopentylpurin-2-yl)amino]ethyl-diethyl-amine trihydrochloride Formula: C16H29Cl3N6 MolecularWeight: 411.80066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(C)NC1=NC=C2C(=N1)N(C=N2)C3CCCC3.Cl.Cl.Cl

Isomeric SMILES

CCN(CC)C(C)NC1=NC=C2C(=N1)N(C=N2)C3CCCC3.Cl.Cl.Cl

InChI

InChI=1S/C16H26N6.3ClH/c1-4-21(5-2)12(3)19-16-17-10-14-15(20-16)22(11-18-14)13-8-6-7-9-13;;;/h10-13H,4-9H2,1-3H3,(H,17,19,20);3*1H