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

Systemtic Name: N6-(4-azanylcyclohexyl)-9-cyclopentyl-N2-(2-phenethylpiperidin-4-yl)purine-2,6-diamine Openeye Name: N6-(4-aminocyclohexyl)-9-cyclopentyl-N2-(2-phenethyl-4-piperidyl)purine-2,6-diamine CAS Name: N6-(4-aminocyclohexyl)-9-cyclopentyl-N2-(2-phenethyl-4-piperidinyl)purine-2,6-diamine IUPAC Name: 6-N-(4-aminocyclohexyl)-9-cyclopentyl-2-N-(2-phenethylpiperidin-4-yl)purine-2,6-diamine Traditional Name: (4-aminocyclohexyl)-[9-cyclopentyl-2-[(2-phenethyl-4-piperidyl)amino]purin-6-yl]amine Formula: C29H42N8 MolecularWeight: 502.69738

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C=NC3=C2N=C(N=C3NC4CCC(CC4)N)NC5CCNC(C5)CCC6=CC=CC=C6

Isomeric SMILES

C1CCC(C1)N2C=NC3=C2N=C(N=C3NC4CCC(CC4)N)NC5CCNC(C5)CCC6=CC=CC=C6

InChI

InChI=1S/C29H42N8/c30-21-11-14-22(15-12-21)33-27-26-28(37(19-32-26)25-8-4-5-9-25)36-29(35-27)34-24-16-17-31-23(18-24)13-10-20-6-2-1-3-7-20/h1-3,6-7,19,21-25,31H,4-5,8-18,30H2,(H2,33,34,35,36)