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

Systemtic Name: N2-(4-azanylcyclohexyl)-9-cyclopentyl-N6-[4-[(1-methylpiperidin-1-ium-1-yl)methyl]piperidin-1-yl]purine-2,6-diamine Openeye Name: N2-(4-aminocyclohexyl)-9-cyclopentyl-N6-[4-[(1-methylpiperidin-1-ium-1-yl)methyl]-1-piperidyl]purine-2,6-diamine CAS Name: N2-(4-aminocyclohexyl)-9-cyclopentyl-N6-[4-[(1-methyl-1-piperidin-1-iumyl)methyl]-1-piperidinyl]purine-2,6-diamine IUPAC Name: 2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-[4-[(1-methylpiperidin-1-ium-1-yl)methyl]piperidin-1-yl]purine-2,6-diamine Traditional Name: (4-aminocyclohexyl)-[9-cyclopentyl-6-[[4-[(1-methylpiperidin-1-ium-1-yl)methyl]piperidino]amino]purin-2-yl]amine Formula: C28H48N9+ MolecularWeight: 510.74102

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCCC1)CC2CCN(CC2)NC3=NC(=NC4=C3N=CN4C5CCCC5)NC6CCC(CC6)N

Isomeric SMILES

C[N+]1(CCCCC1)CC2CCN(CC2)NC3=NC(=NC4=C3N=CN4C5CCCC5)NC6CCC(CC6)N

InChI

InChI=1S/C28H48N9/c1-37(17-5-2-6-18-37)19-21-13-15-35(16-14-21)34-26-25-27(36(20-30-25)24-7-3-4-8-24)33-28(32-26)31-23-11-9-22(29)10-12-23/h20-24H,2-19,29H2,1H3,(H2,31,32,33,34)/q+1