2-[(2-chloranyl-6-oxidanylidene-4-phenyl-pyrimidin-1-yl)methyl]benzenecarbonitrile

Systemtic Name: 2-[(2-chloranyl-6-oxidanylidene-4-phenyl-pyrimidin-1-yl)methyl]benzenecarbonitrile Openeye Name: 2-[(2-chloro-6-oxo-4-phenyl-pyrimidin-1-yl)methyl]benzonitrile CAS Name: 2-[(2-chloro-6-oxo-4-phenyl-1-pyrimidinyl)methyl]benzonitrile IUPAC Name: 2-[(2-chloro-6-oxo-4-phenylpyrimidin-1-yl)methyl]benzonitrile Traditional Name: 2-[(2-chloro-6-keto-4-phenyl-pyrimidin-1-yl)methyl]benzonitrile Formula: C18H12ClN3O MolecularWeight: 321.76038

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=O)N(C(=N2)Cl)CC3=CC=CC=C3C#N

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=O)N(C(=N2)Cl)CC3=CC=CC=C3C#N

InChI

InChI=1S/C18H12ClN3O/c19-18-21-16(13-6-2-1-3-7-13)10-17(23)22(18)12-15-9-5-4-8-14(15)11-20/h1-10H,12H2