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

Systemtic Name: 4-[(4,6-dimethyl-2-oxidanylidene-pyrimidin-1-yl)methyl]-3-fluoranyl-benzenecarbonitrile Openeye Name: 4-[(4,6-dimethyl-2-oxo-pyrimidin-1-yl)methyl]-3-fluoro-benzonitrile CAS Name: 4-[(4,6-dimethyl-2-oxo-1-pyrimidinyl)methyl]-3-fluorobenzonitrile IUPAC Name: 4-[(4,6-dimethyl-2-oxopyrimidin-1-yl)methyl]-3-fluorobenzonitrile Traditional Name: 3-fluoro-4-[(2-keto-4,6-dimethyl-pyrimidin-1-yl)methyl]benzonitrile Formula: C14H12FN3O MolecularWeight: 257.262983

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12FN3O/c1-9-5-10(2)18(14(19)17-9)8-12-4-3-11(7-16)6-13(12)15/h3-6H,8H2,1-2H3