4-[2-(3-fluoranyl-5-pyridin-3-yloxy-phenyl)ethynyl]-2-methylsulfanyl-pyrimidine hydrochloride

Systemtic Name: 4-[2-(3-fluoranyl-5-pyridin-3-yloxy-phenyl)ethynyl]-2-methylsulfanyl-pyrimidine hydrochloride Openeye Name: 4-[2-[3-fluoro-5-(3-pyridyloxy)phenyl]ethynyl]-2-methylsulfanyl-pyrimidine hydrochloride CAS Name: 4-[2-[3-fluoro-5-(3-pyridinyloxy)phenyl]ethynyl]-2-(methylthio)pyrimidine hydrochloride IUPAC Name: 4-[2-(3-fluoro-5-pyridin-3-yloxyphenyl)ethynyl]-2-methylsulfanylpyrimidine hydrochloride Traditional Name: 4-[2-[3-fluoro-5-(3-pyridyloxy)phenyl]ethynyl]-2-(methylthio)pyrimidine hydrochloride Formula: C18H13ClFN3OS MolecularWeight: 373.831723

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=CC(=N1)C#CC2=CC(=CC(=C2)F)OC3=CN=CC=C3.Cl

Isomeric SMILES

CSC1=NC=CC(=N1)C#CC2=CC(=CC(=C2)F)OC3=CN=CC=C3.Cl

InChI

InChI=1S/C18H12FN3OS.ClH/c1-24-18-21-8-6-15(22-18)5-4-13-9-14(19)11-17(10-13)23-16-3-2-7-20-12-16;/h2-3,6-12H,1H3;1H