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

Systemtic Name: N6-(4-azanylcyclohexyl)-9-cyclopentyl-N2-[2-(1-propoxyhexyl)piperidin-4-yl]purine-2,6-diamine Openeye Name: N6-(4-aminocyclohexyl)-9-cyclopentyl-N2-[2-(1-propoxyhexyl)-4-piperidyl]purine-2,6-diamine CAS Name: N6-(4-aminocyclohexyl)-9-cyclopentyl-N2-[2-(1-propoxyhexyl)-4-piperidinyl]purine-2,6-diamine IUPAC Name: 6-N-(4-aminocyclohexyl)-9-cyclopentyl-2-N-[2-(1-propoxyhexyl)piperidin-4-yl]purine-2,6-diamine Traditional Name: (4-aminocyclohexyl)-[9-cyclopentyl-2-[[2-(1-propoxyhexyl)-4-piperidyl]amino]purin-6-yl]amine Formula: C30H52N8O MolecularWeight: 540.78688

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H52N8O/c1-3-5-6-11-26(39-18-4-2)25-19-23(16-17-32-25)35-30-36-28(34-22-14-12-21(31)13-15-22)27-29(37-30)38(20-33-27)24-9-7-8-10-24/h20-26,32H,3-19,31H2,1-2H3,(H2,34,35,36,37)