3-(2-oxidanylidene-1-phenyl-5-pyrimidin-2-yl-pyridin-3-yl)pyridine-2-carbonitrile

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C=C(C2=O)C3=C(N=CC=C3)C#N)C4=NC=CC=N4

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C=C(C2=O)C3=C(N=CC=C3)C#N)C4=NC=CC=N4

InChI

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