N-[1-(3-nitrophenyl)ethyl]-4-(5-pyridazin-3-ylbenzimidazol-1-yl)pyrimidin-2-amine

Systemtic Name: N-[1-(3-nitrophenyl)ethyl]-4-(5-pyridazin-3-ylbenzimidazol-1-yl)pyrimidin-2-amine Openeye Name: N-[1-(3-nitrophenyl)ethyl]-4-(5-pyridazin-3-ylbenzimidazol-1-yl)pyrimidin-2-amine CAS Name: N-[1-(3-nitrophenyl)ethyl]-4-[5-(3-pyridazinyl)-1-benzimidazolyl]-2-pyrimidinamine IUPAC Name: N-[1-(3-nitrophenyl)ethyl]-4-(5-pyridazin-3-ylbenzimidazol-1-yl)pyrimidin-2-amine Traditional Name: 1-(3-nitrophenyl)ethyl-[4-(5-pyridazin-3-ylbenzimidazol-1-yl)pyrimidin-2-yl]amine Formula: C23H18N8O2 MolecularWeight: 438.44142

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)[N+](=O)[O-])NC2=NC=CC(=N2)N3C=NC4=C3C=CC(=C4)C5=NN=CC=C5

Isomeric SMILES

CC(C1=CC(=CC=C1)[N+](=O)[O-])NC2=NC=CC(=N2)N3C=NC4=C3C=CC(=C4)C5=NN=CC=C5

InChI

InChI=1S/C23H18N8O2/c1-15(16-4-2-5-18(12-16)31(32)33)27-23-24-11-9-22(28-23)30-14-25-20-13-17(7-8-21(20)30)19-6-3-10-26-29-19/h2-15H,1H3,(H,24,27,28)