2-[4-(2-azanylethyl)piperazin-1-yl]-N-(3-chlorophenyl)-9-ethyl-purin-6-amine

Systemtic Name: 2-[4-(2-azanylethyl)piperazin-1-yl]-N-(3-chlorophenyl)-9-ethyl-purin-6-amine Openeye Name: 2-[4-(2-aminoethyl)piperazin-1-yl]-N-(3-chlorophenyl)-9-ethyl-purin-6-amine CAS Name: 2-[4-(2-aminoethyl)-1-piperazinyl]-N-(3-chlorophenyl)-9-ethyl-6-purinamine IUPAC Name: 2-[4-(2-aminoethyl)piperazin-1-yl]-N-(3-chlorophenyl)-9-ethylpurin-6-amine Traditional Name: [2-[4-(2-aminoethyl)piperazino]-9-ethyl-purin-6-yl]-(3-chlorophenyl)amine Formula: C19H25ClN8 MolecularWeight: 400.9084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1N=C(N=C2NC3=CC(=CC=C3)Cl)N4CCN(CC4)CCN

Isomeric SMILES

CCN1C=NC2=C1N=C(N=C2NC3=CC(=CC=C3)Cl)N4CCN(CC4)CCN

InChI

InChI=1S/C19H25ClN8/c1-2-27-13-22-16-17(23-15-5-3-4-14(20)12-15)24-19(25-18(16)27)28-10-8-26(7-6-21)9-11-28/h3-5,12-13H,2,6-11,21H2,1H3,(H,23,24,25)