2-piperidin-4-yl-6-(2-pyridin-2-ylethyl)-9-(pyridin-2-ylmethyl)purin-8-amine

Systemtic Name: 2-piperidin-4-yl-6-(2-pyridin-2-ylethyl)-9-(pyridin-2-ylmethyl)purin-8-amine Openeye Name: 2-(4-piperidyl)-6-[2-(2-pyridyl)ethyl]-9-(2-pyridylmethyl)purin-8-amine CAS Name: 2-(4-piperidinyl)-6-[2-(2-pyridinyl)ethyl]-9-(2-pyridinylmethyl)-8-purinamine IUPAC Name: 2-piperidin-4-yl-6-(2-pyridin-2-ylethyl)-9-(pyridin-2-ylmethyl)purin-8-amine Traditional Name: [2-(4-piperidyl)-6-[2-(2-pyridyl)ethyl]-9-(2-pyridylmethyl)purin-8-yl]amine Formula: C23H26N8 MolecularWeight: 414.50614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1C2=NC(=C3C(=N2)N(C(=N3)N)CC4=CC=CC=N4)CCC5=CC=CC=N5

Isomeric SMILES

C1CNCCC1C2=NC(=C3C(=N2)N(C(=N3)N)CC4=CC=CC=N4)CCC5=CC=CC=N5

InChI

InChI=1S/C23H26N8/c24-23-29-20-19(8-7-17-5-1-3-11-26-17)28-21(16-9-13-25-14-10-16)30-22(20)31(23)15-18-6-2-4-12-27-18/h1-6,11-12,16,25H,7-10,13-15H2,(H2,24,29)