2-(2-oxidanylidene-1-pyridin-3-yl-5-pyrimidin-2-yl-pyridin-3-yl)benzenecarbonitrile

Systemtic Name: 2-(2-oxidanylidene-1-pyridin-3-yl-5-pyrimidin-2-yl-pyridin-3-yl)benzenecarbonitrile Openeye Name: 2-[2-oxo-1-(3-pyridyl)-5-pyrimidin-2-yl-3-pyridyl]benzonitrile CAS Name: 2-[2-oxo-1-(3-pyridinyl)-5-(2-pyrimidinyl)-3-pyridinyl]benzonitrile IUPAC Name: 2-(2-oxo-1-pyridin-3-yl-5-pyrimidin-2-ylpyridin-3-yl)benzonitrile Traditional Name: 2-[2-keto-1-(3-pyridyl)-5-(2-pyrimidyl)-3-pyridyl]benzonitrile Formula: C21H13N5O MolecularWeight: 351.36082

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C#N)C2=CC(=CN(C2=O)C3=CN=CC=C3)C4=NC=CC=N4

Isomeric SMILES

C1=CC=C(C(=C1)C#N)C2=CC(=CN(C2=O)C3=CN=CC=C3)C4=NC=CC=N4

InChI

InChI=1S/C21H13N5O/c22-12-15-5-1-2-7-18(15)19-11-16(20-24-9-4-10-25-20)14-26(21(19)27)17-6-3-8-23-13-17/h1-11,13-14H