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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C1CCN(CC1)NC2=NC3=C(C(=N2)NC4CCC(CC4)N)N=CN3C5CCCC5)OCCC

Isomeric SMILES

CCCCCC(C1CCN(CC1)NC2=NC3=C(C(=N2)NC4CCC(CC4)N)N=CN3C5CCCC5)OCCC

InChI

InChI=1S/C30H52N8O/c1-3-5-6-11-26(39-20-4-2)22-16-18-37(19-17-22)36-30-34-28(33-24-14-12-23(31)13-15-24)27-29(35-30)38(21-32-27)25-9-7-8-10-25/h21-26H,3-20,31H2,1-2H3,(H2,33,34,35,36)