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

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

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCNCC1)CCC2CCN(CC2)NC3=NC(=NC4=C3N=CN4C5CCCC5)Cl

Isomeric SMILES

C[N+]1(CCNCC1)CCC2CCN(CC2)NC3=NC(=NC4=C3N=CN4C5CCCC5)Cl

InChI

InChI=1S/C22H36ClN8/c1-31(14-9-24-10-15-31)13-8-17-6-11-29(12-7-17)28-20-19-21(27-22(23)26-20)30(16-25-19)18-4-2-3-5-18/h16-18,24H,2-15H2,1H3,(H,26,27,28)/q+1