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

Systemtic Name: N2-(4-azanylcyclohexyl)-9-cyclopentyl-N6-[4-(1-phenylethyl)piperidin-1-yl]purine-2,6-diamine Openeye Name: N2-(4-aminocyclohexyl)-9-cyclopentyl-N6-[4-(1-phenylethyl)-1-piperidyl]purine-2,6-diamine CAS Name: N2-(4-aminocyclohexyl)-9-cyclopentyl-N6-[4-(1-phenylethyl)-1-piperidinyl]purine-2,6-diamine IUPAC Name: 2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-[4-(1-phenylethyl)piperidin-1-yl]purine-2,6-diamine Traditional Name: (4-aminocyclohexyl)-[9-cyclopentyl-6-[[4-(1-phenylethyl)piperidino]amino]purin-2-yl]amine Formula: C29H42N8 MolecularWeight: 502.69738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCN(CC1)NC2=NC(=NC3=C2N=CN3C4CCCC4)NC5CCC(CC5)N)C6=CC=CC=C6

Isomeric SMILES

CC(C1CCN(CC1)NC2=NC(=NC3=C2N=CN3C4CCCC4)NC5CCC(CC5)N)C6=CC=CC=C6

InChI

InChI=1S/C29H42N8/c1-20(21-7-3-2-4-8-21)22-15-17-36(18-16-22)35-27-26-28(37(19-31-26)25-9-5-6-10-25)34-29(33-27)32-24-13-11-23(30)12-14-24/h2-4,7-8,19-20,22-25H,5-6,9-18,30H2,1H3,(H2,32,33,34,35)