N2-(4-azanylcyclohexyl)-9-cyclopentyl-N6-(4-phenethylpiperidin-1-yl)purine-2,6-diamine

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C=NC3=C2N=C(N=C3NN4CCC(CC4)CCC5=CC=CC=C5)NC6CCC(CC6)N

Isomeric SMILES

C1CCC(C1)N2C=NC3=C2N=C(N=C3NN4CCC(CC4)CCC5=CC=CC=C5)NC6CCC(CC6)N

InChI

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