N6-(4-azanylcyclohexyl)-N2-(2-butylpiperidin-4-yl)-9-cyclopentyl-purine-2,6-diamine

Systemtic Name: N6-(4-azanylcyclohexyl)-N2-(2-butylpiperidin-4-yl)-9-cyclopentyl-purine-2,6-diamine Openeye Name: N6-(4-aminocyclohexyl)-N2-(2-butyl-4-piperidyl)-9-cyclopentyl-purine-2,6-diamine CAS Name: N6-(4-aminocyclohexyl)-N2-(2-butyl-4-piperidinyl)-9-cyclopentylpurine-2,6-diamine IUPAC Name: 6-N-(4-aminocyclohexyl)-2-N-(2-butylpiperidin-4-yl)-9-cyclopentylpurine-2,6-diamine Traditional Name: (4-aminocyclohexyl)-[2-[(2-butyl-4-piperidyl)amino]-9-cyclopentyl-purin-6-yl]amine Formula: C25H42N8 MolecularWeight: 454.65458

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CC(CCN1)NC2=NC3=C(C(=N2)NC4CCC(CC4)N)N=CN3C5CCCC5

Isomeric SMILES

CCCCC1CC(CCN1)NC2=NC3=C(C(=N2)NC4CCC(CC4)N)N=CN3C5CCCC5

InChI

InChI=1S/C25H42N8/c1-2-3-6-19-15-20(13-14-27-19)30-25-31-23(29-18-11-9-17(26)10-12-18)22-24(32-25)33(16-28-22)21-7-4-5-8-21/h16-21,27H,2-15,26H2,1H3,(H2,29,30,31,32)