2-(6-but-2-ynoxypyrimidin-4-yl)-2-(2-chloranyl-6-fluoranyl-phenyl)ethanenitrile

Systemtic Name: 2-(6-but-2-ynoxypyrimidin-4-yl)-2-(2-chloranyl-6-fluoranyl-phenyl)ethanenitrile Openeye Name: 2-(6-but-2-ynoxypyrimidin-4-yl)-2-(2-chloro-6-fluoro-phenyl)acetonitrile CAS Name: 2-(6-but-2-ynoxy-4-pyrimidinyl)-2-(2-chloro-6-fluorophenyl)acetonitrile IUPAC Name: 2-(6-but-2-ynoxypyrimidin-4-yl)-2-(2-chloro-6-fluorophenyl)acetonitrile Traditional Name: 2-(6-but-2-ynoxypyrimidin-4-yl)-2-(2-chloro-6-fluoro-phenyl)acetonitrile Formula: C16H11ClFN3O MolecularWeight: 315.729443

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=NC=NC(=C1)C(C#N)C2=C(C=CC=C2Cl)F

Isomeric SMILES

CC#CCOC1=NC=NC(=C1)C(C#N)C2=C(C=CC=C2Cl)F

InChI

InChI=1S/C16H11ClFN3O/c1-2-3-7-22-15-8-14(20-10-21-15)11(9-19)16-12(17)5-4-6-13(16)18/h4-6,8,10-11H,7H2,1H3