N6-(4-azanylcyclohexyl)-9-cyclopentyl-N2-[4-[2-(1-methylpiperazin-1-ium-1-yl)ethyl]piperidin-1-yl]purine-2,6-diamine

Systemtic Name: N6-(4-azanylcyclohexyl)-9-cyclopentyl-N2-[4-[2-(1-methylpiperazin-1-ium-1-yl)ethyl]piperidin-1-yl]purine-2,6-diamine Openeye Name: N6-(4-aminocyclohexyl)-9-cyclopentyl-N2-[4-[2-(1-methylpiperazin-1-ium-1-yl)ethyl]-1-piperidyl]purine-2,6-diamine CAS Name: N6-(4-aminocyclohexyl)-9-cyclopentyl-N2-[4-[2-(1-methyl-1-piperazin-1-iumyl)ethyl]-1-piperidinyl]purine-2,6-diamine IUPAC Name: 6-N-(4-aminocyclohexyl)-9-cyclopentyl-2-N-[4-[2-(1-methylpiperazin-1-ium-1-yl)ethyl]piperidin-1-yl]purine-2,6-diamine Traditional Name: (4-aminocyclohexyl)-[9-cyclopentyl-2-[[4-[2-(1-methylpiperazin-1-ium-1-yl)ethyl]piperidino]amino]purin-6-yl]amine Formula: C28H49N10+ MolecularWeight: 525.75566

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCNCC1)CCC2CCN(CC2)NC3=NC4=C(C(=N3)NC5CCC(CC5)N)N=CN4C6CCCC6

Isomeric SMILES

C[N+]1(CCNCC1)CCC2CCN(CC2)NC3=NC4=C(C(=N3)NC5CCC(CC5)N)N=CN4C6CCCC6

InChI

InChI=1S/C28H49N10/c1-38(18-13-30-14-19-38)17-12-21-10-15-36(16-11-21)35-28-33-26(32-23-8-6-22(29)7-9-23)25-27(34-28)37(20-31-25)24-4-2-3-5-24/h20-24,30H,2-19,29H2,1H3,(H2,32,33,34,35)/q+1