4-[[2-[4-[[(6-oxidanylidene-1H-pyrimidin-2-yl)amino]methyl]piperidin-1-yl]benzimidazol-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[2-[4-[[(6-oxidanylidene-1H-pyrimidin-2-yl)amino]methyl]piperidin-1-yl]benzimidazol-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[2-[4-[[(6-oxo-1H-pyrimidin-2-yl)amino]methyl]-1-piperidyl]benzimidazol-1-yl]methyl]benzonitrile CAS Name: 4-[[2-[4-[[(6-oxo-1H-pyrimidin-2-yl)amino]methyl]-1-piperidinyl]-1-benzimidazolyl]methyl]benzonitrile IUPAC Name: 4-[[2-[4-[[(6-oxo-1H-pyrimidin-2-yl)amino]methyl]piperidin-1-yl]benzimidazol-1-yl]methyl]benzonitrile Traditional Name: 4-[[2-[4-[[(6-keto-1H-pyrimidin-2-yl)amino]methyl]piperidino]benzimidazol-1-yl]methyl]benzonitrile Formula: C25H25N7O MolecularWeight: 439.5123

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CNC2=NC=CC(=O)N2)C3=NC4=CC=CC=C4N3CC5=CC=C(C=C5)C#N

Isomeric SMILES

C1CN(CCC1CNC2=NC=CC(=O)N2)C3=NC4=CC=CC=C4N3CC5=CC=C(C=C5)C#N

InChI

InChI=1S/C25H25N7O/c26-15-18-5-7-20(8-6-18)17-32-22-4-2-1-3-21(22)29-25(32)31-13-10-19(11-14-31)16-28-24-27-12-9-23(33)30-24/h1-9,12,19H,10-11,13-14,16-17H2,(H2,27,28,30,33)