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

Systemtic Name: N6-(4-azanylcyclohexyl)-N2-[2-(1-butoxyhexyl)piperidin-4-yl]-9-cyclopentyl-purine-2,6-diamine Openeye Name: N6-(4-aminocyclohexyl)-N2-[2-(1-butoxyhexyl)-4-piperidyl]-9-cyclopentyl-purine-2,6-diamine CAS Name: N6-(4-aminocyclohexyl)-N2-[2-(1-butoxyhexyl)-4-piperidinyl]-9-cyclopentylpurine-2,6-diamine IUPAC Name: 6-N-(4-aminocyclohexyl)-2-N-[2-(1-butoxyhexyl)piperidin-4-yl]-9-cyclopentylpurine-2,6-diamine Traditional Name: (4-aminocyclohexyl)-[2-[[2-(1-butoxyhexyl)-4-piperidyl]amino]-9-cyclopentyl-purin-6-yl]amine Formula: C31H54N8O MolecularWeight: 554.81346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H54N8O/c1-3-5-7-12-27(40-19-6-4-2)26-20-24(17-18-33-26)36-31-37-29(35-23-15-13-22(32)14-16-23)28-30(38-31)39(21-34-28)25-10-8-9-11-25/h21-27,33H,3-20,32H2,1-2H3,(H2,35,36,37,38)