2-chloranyl-9-cyclopentyl-N-[2-[2-(1-methylpiperazin-1-ium-1-yl)ethyl]piperidin-4-yl]purin-6-amine

Systemtic Name: 2-chloranyl-9-cyclopentyl-N-[2-[2-(1-methylpiperazin-1-ium-1-yl)ethyl]piperidin-4-yl]purin-6-amine Openeye Name: 2-chloro-9-cyclopentyl-N-[2-[2-(1-methylpiperazin-1-ium-1-yl)ethyl]-4-piperidyl]purin-6-amine CAS Name: 2-chloro-9-cyclopentyl-N-[2-[2-(1-methyl-1-piperazin-1-iumyl)ethyl]-4-piperidinyl]-6-purinamine IUPAC Name: 2-chloro-9-cyclopentyl-N-[2-[2-(1-methylpiperazin-1-ium-1-yl)ethyl]piperidin-4-yl]purin-6-amine Traditional Name: (2-chloro-9-cyclopentyl-purin-6-yl)-[2-[2-(1-methylpiperazin-1-ium-1-yl)ethyl]-4-piperidyl]amine Formula: C22H36ClN8+ MolecularWeight: 448.02784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCNCC1)CCC2CC(CCN2)NC3=NC(=NC4=C3N=CN4C5CCCC5)Cl

Isomeric SMILES

C[N+]1(CCNCC1)CCC2CC(CCN2)NC3=NC(=NC4=C3N=CN4C5CCCC5)Cl

InChI

InChI=1S/C22H36ClN8/c1-31(12-9-24-10-13-31)11-7-16-14-17(6-8-25-16)27-20-19-21(29-22(23)28-20)30(15-26-19)18-4-2-3-5-18/h15-18,24-25H,2-14H2,1H3,(H,27,28,29)/q+1