3-[(4,6-dimethyl-2-oxidanylidene-pyrimidin-1-yl)methyl]benzenecarbonitrile

Systemtic Name: 3-[(4,6-dimethyl-2-oxidanylidene-pyrimidin-1-yl)methyl]benzenecarbonitrile Openeye Name: 3-[(4,6-dimethyl-2-oxo-pyrimidin-1-yl)methyl]benzonitrile CAS Name: 3-[(4,6-dimethyl-2-oxo-1-pyrimidinyl)methyl]benzonitrile IUPAC Name: 3-[(4,6-dimethyl-2-oxopyrimidin-1-yl)methyl]benzonitrile Traditional Name: 3-[(2-keto-4,6-dimethyl-pyrimidin-1-yl)methyl]benzonitrile Formula: C14H13N3O MolecularWeight: 239.27252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=O)N1CC2=CC=CC(=C2)C#N)C

Isomeric SMILES

CC1=CC(=NC(=O)N1CC2=CC=CC(=C2)C#N)C

InChI

InChI=1S/C14H13N3O/c1-10-6-11(2)17(14(18)16-10)9-13-5-3-4-12(7-13)8-15/h3-7H,9H2,1-2H3