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

Systemtic Name: 3-(2-oxidanylidene-1-pyridin-3-yl-5-pyrimidin-2-yl-pyridin-3-yl)pyridine-2-carbonitrile Openeye Name: 3-[2-oxo-1-(3-pyridyl)-5-pyrimidin-2-yl-3-pyridyl]pyridine-2-carbonitrile CAS Name: 3-[2-oxo-1-(3-pyridinyl)-5-(2-pyrimidinyl)-3-pyridinyl]-2-pyridinecarbonitrile IUPAC Name: 3-(2-oxo-1-pyridin-3-yl-5-pyrimidin-2-ylpyridin-3-yl)pyridine-2-carbonitrile Traditional Name: 3-[2-keto-1-(3-pyridyl)-5-(2-pyrimidyl)-3-pyridyl]picolinonitrile Formula: C20H12N6O MolecularWeight: 352.34888

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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