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

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

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCNCC1)CCC2CC(CCN2)NC3=NC4=C(C(=N3)NC5CCC(CC5)N)N=CN4C6CCCC6

Isomeric SMILES

C[N+]1(CCNCC1)CCC2CC(CCN2)NC3=NC4=C(C(=N3)NC5CCC(CC5)N)N=CN4C6CCCC6

InChI

InChI=1S/C28H49N10/c1-38(16-13-30-14-17-38)15-11-22-18-23(10-12-31-22)34-28-35-26(33-21-8-6-20(29)7-9-21)25-27(36-28)37(19-32-25)24-4-2-3-5-24/h19-24,30-31H,2-18,29H2,1H3,(H2,33,34,35,36)/q+1