[3-azanyl-3-[2-[1-(3-nitrophenyl)ethylamino]pyrimidin-4-yl]benzimidazol-3-ium-5-yl]-phenyl-methanone

Systemtic Name: [3-azanyl-3-[2-[1-(3-nitrophenyl)ethylamino]pyrimidin-4-yl]benzimidazol-3-ium-5-yl]-phenyl-methanone Openeye Name: [3-amino-3-[2-[1-(3-nitrophenyl)ethylamino]pyrimidin-4-yl]benzimidazol-3-ium-5-yl]-phenyl-methanone CAS Name: [3-amino-3-[2-[1-(3-nitrophenyl)ethylamino]-4-pyrimidinyl]-5-benzimidazol-3-iumyl]-phenylmethanone IUPAC Name: [3-amino-3-[2-[1-(3-nitrophenyl)ethylamino]pyrimidin-4-yl]benzimidazol-3-ium-5-yl]-phenylmethanone Traditional Name: [3-amino-3-[2-[1-(3-nitrophenyl)ethylamino]pyrimidin-4-yl]benzimidazol-3-ium-5-yl]-phenyl-methanone Formula: C26H22N7O3+ MolecularWeight: 480.49798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)[N+](=O)[O-])NC2=NC=CC(=N2)[N+]3(C=NC4=C3C=C(C=C4)C(=O)C5=CC=CC=C5)N

Isomeric SMILES

CC(C1=CC(=CC=C1)[N+](=O)[O-])NC2=NC=CC(=N2)[N+]3(C=NC4=C3C=C(C=C4)C(=O)C5=CC=CC=C5)N

InChI

InChI=1S/C26H22N7O3/c1-17(19-8-5-9-21(14-19)32(35)36)30-26-28-13-12-24(31-26)33(27)16-29-22-11-10-20(15-23(22)33)25(34)18-6-3-2-4-7-18/h2-17H,27H2,1H3,(H,28,30,31)/q+1