4-[2-[6-oxidanylidene-1-prop-2-ynyl-4-(trifluoromethyl)pyrimidin-5-yl]ethyl]pyridine-2-carbonitrile

Systemtic Name: 4-[2-[6-oxidanylidene-1-prop-2-ynyl-4-(trifluoromethyl)pyrimidin-5-yl]ethyl]pyridine-2-carbonitrile Openeye Name: 4-[2-[6-oxo-1-prop-2-ynyl-4-(trifluoromethyl)pyrimidin-5-yl]ethyl]pyridine-2-carbonitrile CAS Name: 4-[2-[6-oxo-1-prop-2-ynyl-4-(trifluoromethyl)-5-pyrimidinyl]ethyl]-2-pyridinecarbonitrile IUPAC Name: 4-[2-[6-oxo-1-prop-2-ynyl-4-(trifluoromethyl)pyrimidin-5-yl]ethyl]pyridine-2-carbonitrile Traditional Name: 4-[2-[6-keto-1-propargyl-4-(trifluoromethyl)pyrimidin-5-yl]ethyl]picolinonitrile Formula: C16H11F3N4O MolecularWeight: 332.27995

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1C=NC(=C(C1=O)CCC2=CC(=NC=C2)C#N)C(F)(F)F

Isomeric SMILES

C#CCN1C=NC(=C(C1=O)CCC2=CC(=NC=C2)C#N)C(F)(F)F

InChI

InChI=1S/C16H11F3N4O/c1-2-7-23-10-22-14(16(17,18)19)13(15(23)24)4-3-11-5-6-21-12(8-11)9-20/h1,5-6,8,10H,3-4,7H2