4-[2-(3-fluoranyl-5-pyridin-3-yloxy-phenyl)ethynyl]pyrimidin-2-amine hydrochloride

Systemtic Name: 4-[2-(3-fluoranyl-5-pyridin-3-yloxy-phenyl)ethynyl]pyrimidin-2-amine hydrochloride Openeye Name: 4-[2-[3-fluoro-5-(3-pyridyloxy)phenyl]ethynyl]pyrimidin-2-amine hydrochloride CAS Name: 4-[2-[3-fluoro-5-(3-pyridinyloxy)phenyl]ethynyl]-2-pyrimidinamine hydrochloride IUPAC Name: 4-[2-(3-fluoro-5-pyridin-3-yloxyphenyl)ethynyl]pyrimidin-2-amine hydrochloride Traditional Name: [4-[2-[3-fluoro-5-(3-pyridyloxy)phenyl]ethynyl]pyrimidin-2-yl]amine hydrochloride Formula: C17H12ClFN4O MolecularWeight: 342.754783

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)OC2=CC(=CC(=C2)C#CC3=NC(=NC=C3)N)F.Cl

Isomeric SMILES

C1=CC(=CN=C1)OC2=CC(=CC(=C2)C#CC3=NC(=NC=C3)N)F.Cl

InChI

InChI=1S/C17H11FN4O.ClH/c18-13-8-12(3-4-14-5-7-21-17(19)22-14)9-16(10-13)23-15-2-1-6-20-11-15;/h1-2,5-11H,(H2,19,21,22);1H