ethyl 2-(5-bromanyl-4-phenyl-pyrimidin-2-yl)-2-cyano-ethanoate

Systemtic Name: ethyl 2-(5-bromanyl-4-phenyl-pyrimidin-2-yl)-2-cyano-ethanoate Openeye Name: ethyl 2-(5-bromo-4-phenyl-pyrimidin-2-yl)-2-cyano-acetate CAS Name: 2-(5-bromo-4-phenyl-2-pyrimidinyl)-2-cyanoacetic acid ethyl ester IUPAC Name: ethyl 2-(5-bromo-4-phenylpyrimidin-2-yl)-2-cyanoacetate Traditional Name: 2-(5-bromo-4-phenyl-pyrimidin-2-yl)-2-cyano-acetic acid ethyl ester Formula: C15H12BrN3O2 MolecularWeight: 346.17868

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C#N)C1=NC=C(C(=N1)C2=CC=CC=C2)Br

Isomeric SMILES

CCOC(=O)C(C#N)C1=NC=C(C(=N1)C2=CC=CC=C2)Br

InChI

InChI=1S/C15H12BrN3O2/c1-2-21-15(20)11(8-17)14-18-9-12(16)13(19-14)10-6-4-3-5-7-10/h3-7,9,11H,2H2,1H3