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

Systemtic Name: 5-bromanyl-N-[2-[(4-methylphenyl)carbamoyl]-1-benzofuran-3-yl]-2-methylsulfanyl-pyrimidine-4-carboxamide Openeye Name: 5-bromo-2-methylsulfanyl-N-[2-(p-tolylcarbamoyl)benzofuran-3-yl]pyrimidine-4-carboxamide CAS Name: 5-bromo-N-[2-[(4-methylanilino)-oxomethyl]-3-benzofuranyl]-2-(methylthio)-4-pyrimidinecarboxamide IUPAC Name: 5-bromo-N-[2-[(4-methylphenyl)carbamoyl]-1-benzofuran-3-yl]-2-methylsulfanylpyrimidine-4-carboxamide Traditional Name: 5-bromo-2-(methylthio)-N-[2-(p-tolylcarbamoyl)benzofuran-3-yl]pyrimidine-4-carboxamide Formula: C22H17BrN4O3S MolecularWeight: 497.36438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C2=C(C3=CC=CC=C3O2)NC(=O)C4=NC(=NC=C4Br)SC

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C2=C(C3=CC=CC=C3O2)NC(=O)C4=NC(=NC=C4Br)SC

InChI

InChI=1S/C22H17BrN4O3S/c1-12-7-9-13(10-8-12)25-21(29)19-17(14-5-3-4-6-16(14)30-19)26-20(28)18-15(23)11-24-22(27-18)31-2/h3-11H,1-2H3,(H,25,29)(H,26,28)