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

Systemtic Name: N6-(4-azanylcyclohexyl)-9-cyclopentyl-N2-[4-(pyridin-2-ylmethyl)piperidin-1-yl]purine-2,6-diamine Openeye Name: N6-(4-aminocyclohexyl)-9-cyclopentyl-N2-[4-(2-pyridylmethyl)-1-piperidyl]purine-2,6-diamine CAS Name: N6-(4-aminocyclohexyl)-9-cyclopentyl-N2-[4-(2-pyridinylmethyl)-1-piperidinyl]purine-2,6-diamine IUPAC Name: 6-N-(4-aminocyclohexyl)-9-cyclopentyl-2-N-[4-(pyridin-2-ylmethyl)piperidin-1-yl]purine-2,6-diamine Traditional Name: (4-aminocyclohexyl)-[9-cyclopentyl-2-[[4-(2-pyridylmethyl)piperidino]amino]purin-6-yl]amine Formula: C27H39N9 MolecularWeight: 489.65886

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C=NC3=C2N=C(N=C3NC4CCC(CC4)N)NN5CCC(CC5)CC6=CC=CC=N6

Isomeric SMILES

C1CCC(C1)N2C=NC3=C2N=C(N=C3NC4CCC(CC4)N)NN5CCC(CC5)CC6=CC=CC=N6

InChI

InChI=1S/C27H39N9/c28-20-8-10-21(11-9-20)31-25-24-26(36(18-30-24)23-6-1-2-7-23)33-27(32-25)34-35-15-12-19(13-16-35)17-22-5-3-4-14-29-22/h3-5,14,18-21,23H,1-2,6-13,15-17,28H2,(H2,31,32,33,34)