[1-azanyl-1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-5-yl]-pyridin-2-yl-methanone

Systemtic Name: [1-azanyl-1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-5-yl]-pyridin-2-yl-methanone Openeye Name: [1-amino-1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-5-yl]-(2-pyridyl)methanone CAS Name: [1-amino-1-[2-(1-phenylethylamino)-4-pyrimidinyl]-5-benzimidazol-1-iumyl]-(2-pyridinyl)methanone IUPAC Name: [1-amino-1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-5-yl]-pyridin-2-ylmethanone Traditional Name: [1-amino-1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-5-yl]-(2-pyridyl)methanone Formula: C25H22N7O+ MolecularWeight: 436.48848

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC2=NC=CC(=N2)[N+]3(C=NC4=C3C=CC(=C4)C(=O)C5=CC=CC=N5)N

Isomeric SMILES

CC(C1=CC=CC=C1)NC2=NC=CC(=N2)[N+]3(C=NC4=C3C=CC(=C4)C(=O)C5=CC=CC=N5)N

InChI

InChI=1S/C25H22N7O/c1-17(18-7-3-2-4-8-18)30-25-28-14-12-23(31-25)32(26)16-29-21-15-19(10-11-22(21)32)24(33)20-9-5-6-13-27-20/h2-17H,26H2,1H3,(H,28,30,31)/q+1