2-(6-oxidanylidene-5-pyridin-3-yl-3-pyrimidin-2-yl-pyridazin-1-yl)benzenecarbonitrile

Systemtic Name: 2-(6-oxidanylidene-5-pyridin-3-yl-3-pyrimidin-2-yl-pyridazin-1-yl)benzenecarbonitrile Openeye Name: 2-[6-oxo-5-(3-pyridyl)-3-pyrimidin-2-yl-pyridazin-1-yl]benzonitrile CAS Name: 2-[6-oxo-5-(3-pyridinyl)-3-(2-pyrimidinyl)-1-pyridazinyl]benzonitrile IUPAC Name: 2-(6-oxo-5-pyridin-3-yl-3-pyrimidin-2-ylpyridazin-1-yl)benzonitrile Traditional Name: 2-[6-keto-5-(3-pyridyl)-3-(2-pyrimidyl)pyridazin-1-yl]benzonitrile Formula: C20H12N6O MolecularWeight: 352.34888

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C#N)N2C(=O)C(=CC(=N2)C3=NC=CC=N3)C4=CN=CC=C4

Isomeric SMILES

C1=CC=C(C(=C1)C#N)N2C(=O)C(=CC(=N2)C3=NC=CC=N3)C4=CN=CC=C4

InChI

InChI=1S/C20H12N6O/c21-12-14-5-1-2-7-18(14)26-20(27)16(15-6-3-8-22-13-15)11-17(25-26)19-23-9-4-10-24-19/h1-11,13H