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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C1CCN(CC1)NC2=NC(=NC3=C2N=CN3C4CCCC4)NC5CCC(CC5)N)OCCCC

Isomeric SMILES

CCCCCC(C1CCN(CC1)NC2=NC(=NC3=C2N=CN3C4CCCC4)NC5CCC(CC5)N)OCCCC

InChI

InChI=1S/C31H54N8O/c1-3-5-7-12-27(40-21-6-4-2)23-17-19-38(20-18-23)37-29-28-30(39(22-33-28)26-10-8-9-11-26)36-31(35-29)34-25-15-13-24(32)14-16-25/h22-27H,3-21,32H2,1-2H3,(H2,34,35,36,37)