5-bromanyl-N-(3-ethanoylphenyl)-2-[(4-fluorophenyl)methylsulfanyl]pyrimidine-4-carboxamide

Systemtic Name: 5-bromanyl-N-(3-ethanoylphenyl)-2-[(4-fluorophenyl)methylsulfanyl]pyrimidine-4-carboxamide Openeye Name: N-(3-acetylphenyl)-5-bromo-2-[(4-fluorophenyl)methylsulfanyl]pyrimidine-4-carboxamide CAS Name: N-(3-acetylphenyl)-5-bromo-2-[(4-fluorophenyl)methylthio]-4-pyrimidinecarboxamide IUPAC Name: N-(3-acetylphenyl)-5-bromo-2-[(4-fluorophenyl)methylsulfanyl]pyrimidine-4-carboxamide Traditional Name: N-(3-acetylphenyl)-5-bromo-2-[(4-fluorobenzyl)thio]pyrimidine-4-carboxamide Formula: C20H15BrFN3O2S MolecularWeight: 460.319403

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC(=O)C2=NC(=NC=C2Br)SCC3=CC=C(C=C3)F

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC(=O)C2=NC(=NC=C2Br)SCC3=CC=C(C=C3)F

InChI

InChI=1S/C20H15BrFN3O2S/c1-12(26)14-3-2-4-16(9-14)24-19(27)18-17(21)10-23-20(25-18)28-11-13-5-7-15(22)8-6-13/h2-10H,11H2,1H3,(H,24,27)