N6-(4-azanylcyclohexyl)-9-cyclopentyl-N2-[2-(3-piperidin-1-ylpropyl)piperidin-4-yl]purine-2,6-diamine

Systemtic Name: N6-(4-azanylcyclohexyl)-9-cyclopentyl-N2-[2-(3-piperidin-1-ylpropyl)piperidin-4-yl]purine-2,6-diamine Openeye Name: N6-(4-aminocyclohexyl)-9-cyclopentyl-N2-[2-[3-(1-piperidyl)propyl]-4-piperidyl]purine-2,6-diamine CAS Name: N6-(4-aminocyclohexyl)-9-cyclopentyl-N2-[2-[3-(1-piperidinyl)propyl]-4-piperidinyl]purine-2,6-diamine IUPAC Name: 6-N-(4-aminocyclohexyl)-9-cyclopentyl-2-N-[2-(3-piperidin-1-ylpropyl)piperidin-4-yl]purine-2,6-diamine Traditional Name: (4-aminocyclohexyl)-[9-cyclopentyl-2-[[2-(3-piperidinopropyl)-4-piperidyl]amino]purin-6-yl]amine Formula: C29H49N9 MolecularWeight: 523.75966

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCCC2CC(CCN2)NC3=NC4=C(C(=N3)NC5CCC(CC5)N)N=CN4C6CCCC6

Isomeric SMILES

C1CCN(CC1)CCCC2CC(CCN2)NC3=NC4=C(C(=N3)NC5CCC(CC5)N)N=CN4C6CCCC6

InChI

InChI=1S/C29H49N9/c30-21-10-12-22(13-11-21)33-27-26-28(38(20-32-26)25-8-2-3-9-25)36-29(35-27)34-24-14-15-31-23(19-24)7-6-18-37-16-4-1-5-17-37/h20-25,31H,1-19,30H2,(H2,33,34,35,36)