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

Systemtic Name: 4-[[3-[(2-oxidanylidene-1-pyrimidin-2-yl-pyridin-4-yl)methyl]imidazol-4-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[3-[(2-oxo-1-pyrimidin-2-yl-4-pyridyl)methyl]imidazol-4-yl]methyl]benzonitrile CAS Name: 4-[[3-[[2-oxo-1-(2-pyrimidinyl)-4-pyridinyl]methyl]-4-imidazolyl]methyl]benzonitrile IUPAC Name: 4-[[3-[(2-oxo-1-pyrimidin-2-ylpyridin-4-yl)methyl]imidazol-4-yl]methyl]benzonitrile Traditional Name: 4-[[3-[[2-keto-1-(2-pyrimidyl)-4-pyridyl]methyl]imidazol-4-yl]methyl]benzonitrile Formula: C21H16N6O MolecularWeight: 368.39134

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1)N2C=CC(=CC2=O)CN3C=NC=C3CC4=CC=C(C=C4)C#N

Isomeric SMILES

C1=CN=C(N=C1)N2C=CC(=CC2=O)CN3C=NC=C3CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C21H16N6O/c22-12-17-4-2-16(3-5-17)10-19-13-23-15-26(19)14-18-6-9-27(20(28)11-18)21-24-7-1-8-25-21/h1-9,11,13,15H,10,14H2