2-[(6-chloranyl-4-oxidanylidene-1H-pyrimidin-5-yl)methyl]benzenecarbonitrile

Systemtic Name: 2-[(6-chloranyl-4-oxidanylidene-1H-pyrimidin-5-yl)methyl]benzenecarbonitrile Openeye Name: 2-[(6-chloro-4-oxo-1H-pyrimidin-5-yl)methyl]benzonitrile CAS Name: 2-[(6-chloro-4-oxo-1H-pyrimidin-5-yl)methyl]benzonitrile IUPAC Name: 2-[(6-chloro-4-oxo-1H-pyrimidin-5-yl)methyl]benzonitrile Traditional Name: 2-[(6-chloro-4-keto-1H-pyrimidin-5-yl)methyl]benzonitrile Formula: C12H8ClN3O MolecularWeight: 245.66442

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CC2=C(NC=NC2=O)Cl)C#N

Isomeric SMILES

C1=CC=C(C(=C1)CC2=C(NC=NC2=O)Cl)C#N

InChI

InChI=1S/C12H8ClN3O/c13-11-10(12(17)16-7-15-11)5-8-3-1-2-4-9(8)6-14/h1-4,7H,5H2,(H,15,16,17)