(E)-3-(5-bromanyl-2-fluoranyl-phenyl)-N-[3-(6-ethyl-4-oxidanylidene-1H-pyrimidin-2-yl)phenyl]prop-2-enamide

Systemtic Name: (E)-3-(5-bromanyl-2-fluoranyl-phenyl)-N-[3-(6-ethyl-4-oxidanylidene-1H-pyrimidin-2-yl)phenyl]prop-2-enamide Openeye Name: (E)-3-(5-bromo-2-fluoro-phenyl)-N-[3-(6-ethyl-4-oxo-1H-pyrimidin-2-yl)phenyl]prop-2-enamide CAS Name: (E)-3-(5-bromo-2-fluorophenyl)-N-[3-(6-ethyl-4-oxo-1H-pyrimidin-2-yl)phenyl]-2-propenamide IUPAC Name: (E)-3-(5-bromo-2-fluorophenyl)-N-[3-(6-ethyl-4-oxo-1H-pyrimidin-2-yl)phenyl]prop-2-enamide Traditional Name: (E)-3-(5-bromo-2-fluoro-phenyl)-N-[3-(6-ethyl-4-keto-1H-pyrimidin-2-yl)phenyl]acrylamide Formula: C21H17BrFN3O2 MolecularWeight: 442.280983

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=O)N=C(N1)C2=CC(=CC=C2)NC(=O)C=CC3=C(C=CC(=C3)Br)F

Isomeric SMILES

CCC1=CC(=O)N=C(N1)C2=CC(=CC=C2)NC(=O)/C=C/C3=C(C=CC(=C3)Br)F

InChI

InChI=1S/C21H17BrFN3O2/c1-2-16-12-20(28)26-21(25-16)14-4-3-5-17(11-14)24-19(27)9-6-13-10-15(22)7-8-18(13)23/h3-12H,2H2,1H3,(H,24,27)(H,25,26,28)/b9-6+