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

Systemtic Name: 2-(2-oxidanylidene-5-pyridin-2-yl-1-pyrimidin-5-yl-pyridin-3-yl)benzenecarbonitrile Openeye Name: 2-[2-oxo-5-(2-pyridyl)-1-pyrimidin-5-yl-3-pyridyl]benzonitrile CAS Name: 2-[2-oxo-5-(2-pyridinyl)-1-(5-pyrimidinyl)-3-pyridinyl]benzonitrile IUPAC Name: 2-(2-oxo-5-pyridin-2-yl-1-pyrimidin-5-ylpyridin-3-yl)benzonitrile Traditional Name: 2-[2-keto-5-(2-pyridyl)-1-(5-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=CN=C3)C4=CC=CC=N4

Isomeric SMILES

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

InChI

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