5-bromanyl-N-[2-(4-fluorophenyl)carbonyl-1-benzofuran-3-yl]-2-methylsulfanyl-pyrimidine-4-carboxamide

Systemtic Name: 5-bromanyl-N-[2-(4-fluorophenyl)carbonyl-1-benzofuran-3-yl]-2-methylsulfanyl-pyrimidine-4-carboxamide Openeye Name: 5-bromo-N-[2-(4-fluorobenzoyl)benzofuran-3-yl]-2-methylsulfanyl-pyrimidine-4-carboxamide CAS Name: 5-bromo-N-[2-[(4-fluorophenyl)-oxomethyl]-3-benzofuranyl]-2-(methylthio)-4-pyrimidinecarboxamide IUPAC Name: 5-bromo-N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]-2-methylsulfanylpyrimidine-4-carboxamide Traditional Name: 5-bromo-N-[2-(4-fluorobenzoyl)benzofuran-3-yl]-2-(methylthio)pyrimidine-4-carboxamide Formula: C21H13BrFN3O3S MolecularWeight: 486.313623

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)C(=O)NC2=C(OC3=CC=CC=C32)C(=O)C4=CC=C(C=C4)F)Br

Isomeric SMILES

CSC1=NC=C(C(=N1)C(=O)NC2=C(OC3=CC=CC=C32)C(=O)C4=CC=C(C=C4)F)Br

InChI

InChI=1S/C21H13BrFN3O3S/c1-30-21-24-10-14(22)17(26-21)20(28)25-16-13-4-2-3-5-15(13)29-19(16)18(27)11-6-8-12(23)9-7-11/h2-10H,1H3,(H,25,28)