3-[[4-[4-(7H-purin-6-yl)piperazin-1-yl]piperidin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 3-[[4-[4-(7H-purin-6-yl)piperazin-1-yl]piperidin-1-yl]methyl]benzenecarbonitrile Openeye Name: 3-[[4-[4-(7H-purin-6-yl)piperazin-1-yl]-1-piperidyl]methyl]benzonitrile CAS Name: 3-[[4-[4-(7H-purin-6-yl)-1-piperazinyl]-1-piperidinyl]methyl]benzonitrile IUPAC Name: 3-[[4-[4-(7H-purin-6-yl)piperazin-1-yl]piperidin-1-yl]methyl]benzonitrile Traditional Name: 3-[[4-[4-(7H-purin-6-yl)piperazino]piperidino]methyl]benzonitrile Formula: C22H26N8 MolecularWeight: 402.49544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2CCN(CC2)C3=NC=NC4=C3NC=N4)CC5=CC=CC(=C5)C#N

Isomeric SMILES

C1CN(CCC1N2CCN(CC2)C3=NC=NC4=C3NC=N4)CC5=CC=CC(=C5)C#N

InChI

InChI=1S/C22H26N8/c23-13-17-2-1-3-18(12-17)14-28-6-4-19(5-7-28)29-8-10-30(11-9-29)22-20-21(25-15-24-20)26-16-27-22/h1-3,12,15-16,19H,4-11,14H2,(H,24,25,26,27)