4-[[3-[(4-chloranylpyrimidin-2-yl)-(2-oxidanylidene-1H-pyridin-4-yl)methyl]imidazol-4-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[3-[(4-chloranylpyrimidin-2-yl)-(2-oxidanylidene-1H-pyridin-4-yl)methyl]imidazol-4-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[3-[(4-chloropyrimidin-2-yl)-(2-oxo-1H-pyridin-4-yl)methyl]imidazol-4-yl]methyl]benzonitrile CAS Name: 4-[[3-[(4-chloro-2-pyrimidinyl)-(2-oxo-1H-pyridin-4-yl)methyl]-4-imidazolyl]methyl]benzonitrile IUPAC Name: 4-[[3-[(4-chloropyrimidin-2-yl)-(2-oxo-1H-pyridin-4-yl)methyl]imidazol-4-yl]methyl]benzonitrile Traditional Name: 4-[[3-[(4-chloropyrimidin-2-yl)-(2-keto-1H-pyridin-4-yl)methyl]imidazol-4-yl]methyl]benzonitrile Formula: C21H15ClN6O MolecularWeight: 402.8364

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC2=CN=CN2C(C3=CC(=O)NC=C3)C4=NC=CC(=N4)Cl)C#N

Isomeric SMILES

C1=CC(=CC=C1CC2=CN=CN2C(C3=CC(=O)NC=C3)C4=NC=CC(=N4)Cl)C#N

InChI

InChI=1S/C21H15ClN6O/c22-18-6-8-26-21(27-18)20(16-5-7-25-19(29)10-16)28-13-24-12-17(28)9-14-1-3-15(11-23)4-2-14/h1-8,10,12-13,20H,9H2,(H,25,29)