4-[(2-chloranylpyrimidin-4-yl)methyl]benzenecarbonitrile

Systemtic Name: 4-[(2-chloranylpyrimidin-4-yl)methyl]benzenecarbonitrile Openeye Name: 4-[(2-chloropyrimidin-4-yl)methyl]benzonitrile CAS Name: 4-[(2-chloro-4-pyrimidinyl)methyl]benzonitrile IUPAC Name: 4-[(2-chloropyrimidin-4-yl)methyl]benzonitrile Traditional Name: 4-[(2-chloropyrimidin-4-yl)methyl]benzonitrile Formula: C12H8ClN3 MolecularWeight: 229.66502

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC2=NC(=NC=C2)Cl)C#N

Isomeric SMILES

C1=CC(=CC=C1CC2=NC(=NC=C2)Cl)C#N

InChI

InChI=1S/C12H8ClN3/c13-12-15-6-5-11(16-12)7-9-1-3-10(8-14)4-2-9/h1-6H,7H2