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

Systemtic Name: N6-(4-azanylcyclohexyl)-9-cyclopentyl-N2-[2-(1-methoxyhexyl)piperidin-4-yl]purine-2,6-diamine Openeye Name: N6-(4-aminocyclohexyl)-9-cyclopentyl-N2-[2-(1-methoxyhexyl)-4-piperidyl]purine-2,6-diamine CAS Name: N6-(4-aminocyclohexyl)-9-cyclopentyl-N2-[2-(1-methoxyhexyl)-4-piperidinyl]purine-2,6-diamine IUPAC Name: 6-N-(4-aminocyclohexyl)-9-cyclopentyl-2-N-[2-(1-methoxyhexyl)piperidin-4-yl]purine-2,6-diamine Traditional Name: (4-aminocyclohexyl)-[9-cyclopentyl-2-[[2-(1-methoxyhexyl)-4-piperidyl]amino]purin-6-yl]amine Formula: C28H48N8O MolecularWeight: 512.73372

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C1CC(CCN1)NC2=NC3=C(C(=N2)NC4CCC(CC4)N)N=CN3C5CCCC5)OC

Isomeric SMILES

CCCCCC(C1CC(CCN1)NC2=NC3=C(C(=N2)NC4CCC(CC4)N)N=CN3C5CCCC5)OC

InChI

InChI=1S/C28H48N8O/c1-3-4-5-10-24(37-2)23-17-21(15-16-30-23)33-28-34-26(32-20-13-11-19(29)12-14-20)25-27(35-28)36(18-31-25)22-8-6-7-9-22/h18-24,30H,3-17,29H2,1-2H3,(H2,32,33,34,35)