2-[(5-bromanyl-2-chloranyl-6-oxidanylidene-pyrimidin-1-yl)methyl]benzenecarbonitrile

Systemtic Name: 2-[(5-bromanyl-2-chloranyl-6-oxidanylidene-pyrimidin-1-yl)methyl]benzenecarbonitrile Openeye Name: 2-[(5-bromo-2-chloro-6-oxo-pyrimidin-1-yl)methyl]benzonitrile CAS Name: 2-[(5-bromo-2-chloro-6-oxo-1-pyrimidinyl)methyl]benzonitrile IUPAC Name: 2-[(5-bromo-2-chloro-6-oxopyrimidin-1-yl)methyl]benzonitrile Traditional Name: 2-[(5-bromo-2-chloro-6-keto-pyrimidin-1-yl)methyl]benzonitrile Formula: C12H7BrClN3O MolecularWeight: 324.56048

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CN2C(=O)C(=CN=C2Cl)Br)C#N

Isomeric SMILES

C1=CC=C(C(=C1)CN2C(=O)C(=CN=C2Cl)Br)C#N

InChI

InChI=1S/C12H7BrClN3O/c13-10-6-16-12(14)17(11(10)18)7-9-4-2-1-3-8(9)5-15/h1-4,6H,7H2