6-[2-fluoranyl-5-(trifluoromethyl)phenyl]-4-oxidanylidene-1H-pyrimidine-5-carbonitrile

Systemtic Name: 6-[2-fluoranyl-5-(trifluoromethyl)phenyl]-4-oxidanylidene-1H-pyrimidine-5-carbonitrile Openeye Name: 6-[2-fluoro-5-(trifluoromethyl)phenyl]-4-oxo-1H-pyrimidine-5-carbonitrile CAS Name: 6-[2-fluoro-5-(trifluoromethyl)phenyl]-4-oxo-1H-pyrimidine-5-carbonitrile IUPAC Name: 6-[2-fluoro-5-(trifluoromethyl)phenyl]-4-oxo-1H-pyrimidine-5-carbonitrile Traditional Name: 6-[2-fluoro-5-(trifluoromethyl)phenyl]-4-keto-1H-pyrimidine-5-carbonitrile Formula: C12H5F4N3O MolecularWeight: 283.181213

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(F)(F)F)C2=C(C(=O)N=CN2)C#N)F

Isomeric SMILES

C1=CC(=C(C=C1C(F)(F)F)C2=C(C(=O)N=CN2)C#N)F

InChI

InChI=1S/C12H5F4N3O/c13-9-2-1-6(12(14,15)16)3-7(9)10-8(4-17)11(20)19-5-18-10/h1-3,5H,(H,18,19,20)