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

Systemtic Name: 2-[[2,5-bis(chloranyl)-6-oxidanylidene-pyrimidin-1-yl]methyl]benzenecarbonitrile Openeye Name: 2-[(2,5-dichloro-6-oxo-pyrimidin-1-yl)methyl]benzonitrile CAS Name: 2-[(2,5-dichloro-6-oxo-1-pyrimidinyl)methyl]benzonitrile IUPAC Name: 2-[(2,5-dichloro-6-oxopyrimidin-1-yl)methyl]benzonitrile Traditional Name: 2-[(2,5-dichloro-6-keto-pyrimidin-1-yl)methyl]benzonitrile Formula: C12H7Cl2N3O MolecularWeight: 280.10948

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H7Cl2N3O/c13-10-6-16-12(14)17(11(10)18)7-9-4-2-1-3-8(9)5-15/h1-4,6H,7H2