N6-(4-azanylcyclohexyl)-9-cyclopentyl-N2-[2-(5-methoxypentyl)piperidin-4-yl]purine-2,6-diamine

Systemtic Name: N6-(4-azanylcyclohexyl)-9-cyclopentyl-N2-[2-(5-methoxypentyl)piperidin-4-yl]purine-2,6-diamine Openeye Name: N6-(4-aminocyclohexyl)-9-cyclopentyl-N2-[2-(5-methoxypentyl)-4-piperidyl]purine-2,6-diamine CAS Name: N6-(4-aminocyclohexyl)-9-cyclopentyl-N2-[2-(5-methoxypentyl)-4-piperidinyl]purine-2,6-diamine IUPAC Name: 6-N-(4-aminocyclohexyl)-9-cyclopentyl-2-N-[2-(5-methoxypentyl)piperidin-4-yl]purine-2,6-diamine Traditional Name: (4-aminocyclohexyl)-[9-cyclopentyl-2-[[2-(5-methoxypentyl)-4-piperidyl]amino]purin-6-yl]amine Formula: C27H46N8O MolecularWeight: 498.70714

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Descriptors Computed from Structure

Canonical SMILES:

COCCCCCC1CC(CCN1)NC2=NC3=C(C(=N2)NC4CCC(CC4)N)N=CN3C5CCCC5

Isomeric SMILES

COCCCCCC1CC(CCN1)NC2=NC3=C(C(=N2)NC4CCC(CC4)N)N=CN3C5CCCC5

InChI

InChI=1S/C27H46N8O/c1-36-16-6-2-3-7-21-17-22(14-15-29-21)32-27-33-25(31-20-12-10-19(28)11-13-20)24-26(34-27)35(18-30-24)23-8-4-5-9-23/h18-23,29H,2-17,28H2,1H3,(H2,31,32,33,34)