6-(3-bromophenyl)-4-oxidanylidene-1H-pyrimidine-5-carbonitrile

Systemtic Name: 6-(3-bromophenyl)-4-oxidanylidene-1H-pyrimidine-5-carbonitrile Openeye Name: 6-(3-bromophenyl)-4-oxo-1H-pyrimidine-5-carbonitrile CAS Name: 6-(3-bromophenyl)-4-oxo-1H-pyrimidine-5-carbonitrile IUPAC Name: 6-(3-bromophenyl)-4-oxo-1H-pyrimidine-5-carbonitrile Traditional Name: 6-(3-bromophenyl)-4-keto-1H-pyrimidine-5-carbonitrile Formula: C11H6BrN3O MolecularWeight: 276.08884

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)C2=C(C(=O)N=CN2)C#N

Isomeric SMILES

C1=CC(=CC(=C1)Br)C2=C(C(=O)N=CN2)C#N

InChI

InChI=1S/C11H6BrN3O/c12-8-3-1-2-7(4-8)10-9(5-13)11(16)15-6-14-10/h1-4,6H,(H,14,15,16)