4-[(2-oxidanylidenepyrimidin-1-yl)methyl]benzenecarbonitrile

Systemtic Name: 4-[(2-oxidanylidenepyrimidin-1-yl)methyl]benzenecarbonitrile Openeye Name: 4-[(2-oxopyrimidin-1-yl)methyl]benzonitrile CAS Name: 4-[(2-oxo-1-pyrimidinyl)methyl]benzonitrile IUPAC Name: 4-[(2-oxopyrimidin-1-yl)methyl]benzonitrile Traditional Name: 4-[(2-ketopyrimidin-1-yl)methyl]benzonitrile Formula: C12H9N3O MolecularWeight: 211.21936

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C(=O)N=C1)CC2=CC=C(C=C2)C#N

Isomeric SMILES

C1=CN(C(=O)N=C1)CC2=CC=C(C=C2)C#N

InChI

InChI=1S/C12H9N3O/c13-8-10-2-4-11(5-3-10)9-15-7-1-6-14-12(15)16/h1-7H,9H2