[4-[2-(3-cyano-5-fluoranyl-phenyl)ethynyl]pyrimidin-2-yl]azanium hydrochloride

Systemtic Name: [4-[2-(3-cyano-5-fluoranyl-phenyl)ethynyl]pyrimidin-2-yl]azanium hydrochloride Openeye Name: [4-[2-(3-cyano-5-fluoro-phenyl)ethynyl]pyrimidin-2-yl]ammonium hydrochloride CAS Name: [4-[2-(3-cyano-5-fluorophenyl)ethynyl]-2-pyrimidinyl]ammonium hydrochloride IUPAC Name: [4-[2-(3-cyano-5-fluorophenyl)ethynyl]pyrimidin-2-yl]azanium hydrochloride Traditional Name: [4-[2-(3-cyano-5-fluoro-phenyl)ethynyl]pyrimidin-2-yl]ammonium hydrochloride Formula: C13H9ClFN4+ MolecularWeight: 275.688763

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1C#CC2=CC(=CC(=C2)F)C#N)[NH3+].Cl

Isomeric SMILES

C1=CN=C(N=C1C#CC2=CC(=CC(=C2)F)C#N)[NH3+].Cl

InChI

InChI=1S/C13H7FN4.ClH/c14-11-6-9(5-10(7-11)8-15)1-2-12-3-4-17-13(16)18-12;/h3-7H,(H2,16,17,18);1H/p+1