5-(6-oxidanylidene-5-phenyl-3-pyrimidin-2-yl-pyridazin-1-yl)pyridine-2-carbonitrile

Systemtic Name: 5-(6-oxidanylidene-5-phenyl-3-pyrimidin-2-yl-pyridazin-1-yl)pyridine-2-carbonitrile Openeye Name: 5-(6-oxo-5-phenyl-3-pyrimidin-2-yl-pyridazin-1-yl)pyridine-2-carbonitrile CAS Name: 5-[6-oxo-5-phenyl-3-(2-pyrimidinyl)-1-pyridazinyl]-2-pyridinecarbonitrile IUPAC Name: 5-(6-oxo-5-phenyl-3-pyrimidin-2-ylpyridazin-1-yl)pyridine-2-carbonitrile Traditional Name: 5-[6-keto-5-phenyl-3-(2-pyrimidyl)pyridazin-1-yl]picolinonitrile Formula: C20H12N6O MolecularWeight: 352.34888

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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