3-[[3-(4-bromophenyl)-2-oxidanylidene-4H-pyrimidin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 3-[[3-(4-bromophenyl)-2-oxidanylidene-4H-pyrimidin-1-yl]methyl]benzenecarbonitrile Openeye Name: 3-[[3-(4-bromophenyl)-2-oxo-4H-pyrimidin-1-yl]methyl]benzonitrile CAS Name: 3-[[3-(4-bromophenyl)-2-oxo-4H-pyrimidin-1-yl]methyl]benzonitrile IUPAC Name: 3-[[3-(4-bromophenyl)-2-oxo-4H-pyrimidin-1-yl]methyl]benzonitrile Traditional Name: 3-[[3-(4-bromophenyl)-2-keto-4H-pyrimidin-1-yl]methyl]benzonitrile Formula: C18H14BrN3O MolecularWeight: 368.22726

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CN(C(=O)N1C2=CC=C(C=C2)Br)CC3=CC=CC(=C3)C#N

Isomeric SMILES

C1C=CN(C(=O)N1C2=CC=C(C=C2)Br)CC3=CC=CC(=C3)C#N

InChI

InChI=1S/C18H14BrN3O/c19-16-5-7-17(8-6-16)22-10-2-9-21(18(22)23)13-15-4-1-3-14(11-15)12-20/h1-9,11H,10,13H2