3-[2-(2-azanylpyrimidin-4-yl)ethynyl]-5-fluoranyl-benzenecarbonitrile

Systemtic Name: 3-[2-(2-azanylpyrimidin-4-yl)ethynyl]-5-fluoranyl-benzenecarbonitrile Openeye Name: 3-[2-(2-aminopyrimidin-4-yl)ethynyl]-5-fluoro-benzonitrile CAS Name: 3-[2-(2-amino-4-pyrimidinyl)ethynyl]-5-fluorobenzonitrile IUPAC Name: 3-[2-(2-aminopyrimidin-4-yl)ethynyl]-5-fluorobenzonitrile Traditional Name: 3-[2-(2-aminopyrimidin-4-yl)ethynyl]-5-fluoro-benzonitrile Formula: C13H7FN4 MolecularWeight: 238.219883

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1C#CC2=CC(=CC(=C2)F)C#N)N

Isomeric SMILES

C1=CN=C(N=C1C#CC2=CC(=CC(=C2)F)C#N)N

InChI

InChI=1S/C13H7FN4/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)