2-[2-(5-oxidanylidene-7-pyrimidin-4-yl-3H-imidazo[1,2-a]pyrimidin-1-ium-1-yl)ethyl]benzenecarbonitrile

Systemtic Name: 2-[2-(5-oxidanylidene-7-pyrimidin-4-yl-3H-imidazo[1,2-a]pyrimidin-1-ium-1-yl)ethyl]benzenecarbonitrile Openeye Name: 2-[2-(5-oxo-7-pyrimidin-4-yl-3H-imidazo[1,2-a]pyrimidin-1-ium-1-yl)ethyl]benzonitrile CAS Name: 2-[2-[5-oxo-7-(4-pyrimidinyl)-3H-imidazo[1,2-a]pyrimidin-1-ium-1-yl]ethyl]benzonitrile IUPAC Name: 2-[2-(5-oxo-7-pyrimidin-4-yl-3H-imidazo[1,2-a]pyrimidin-1-ium-1-yl)ethyl]benzonitrile Traditional Name: 2-[2-[5-keto-7-(4-pyrimidyl)-3H-imidazo[1,2-a]pyrimidin-1-ium-1-yl]ethyl]benzonitrile Formula: C19H15N6O+ MolecularWeight: 343.362

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Descriptors Computed from Structure

Canonical SMILES:

C1C=[N+](C2=NC(=CC(=O)N21)C3=NC=NC=C3)CCC4=CC=CC=C4C#N

Isomeric SMILES

C1C=[N+](C2=NC(=CC(=O)N21)C3=NC=NC=C3)CCC4=CC=CC=C4C#N

InChI

InChI=1S/C19H15N6O/c20-12-15-4-2-1-3-14(15)6-8-24-9-10-25-18(26)11-17(23-19(24)25)16-5-7-21-13-22-16/h1-5,7,9,11,13H,6,8,10H2/q+1