3-(4-oxidanylidene-6-pyridin-4-yl-1H-pyrimidin-2-yl)benzenecarbonitrile

Systemtic Name: 3-(4-oxidanylidene-6-pyridin-4-yl-1H-pyrimidin-2-yl)benzenecarbonitrile Openeye Name: 3-[4-oxo-6-(4-pyridyl)-1H-pyrimidin-2-yl]benzonitrile CAS Name: 3-(4-oxo-6-pyridin-4-yl-1H-pyrimidin-2-yl)benzonitrile IUPAC Name: 3-(4-oxo-6-pyridin-4-yl-1H-pyrimidin-2-yl)benzonitrile Traditional Name: 3-[4-keto-6-(4-pyridyl)-1H-pyrimidin-2-yl]benzonitrile Formula: C16H10N4O MolecularWeight: 274.2768

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C2=NC(=O)C=C(N2)C3=CC=NC=C3)C#N

Isomeric SMILES

C1=CC(=CC(=C1)C2=NC(=O)C=C(N2)C3=CC=NC=C3)C#N

InChI

InChI=1S/C16H10N4O/c17-10-11-2-1-3-13(8-11)16-19-14(9-15(21)20-16)12-4-6-18-7-5-12/h1-9H,(H,19,20,21)