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

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

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCNCC1)CCC2CCN(CC2)NC3=NC(=NC4=C3N=CN4C5CCCC5)NC6CCC(CC6)N

Isomeric SMILES

C[N+]1(CCNCC1)CCC2CCN(CC2)NC3=NC(=NC4=C3N=CN4C5CCCC5)NC6CCC(CC6)N

InChI

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