3-[2-[bis(fluoranyl)methylsulfanyl]-6-methyl-4-oxidanylidene-1H-pyrimidin-5-yl]-N-(2-bromanyl-4-methyl-phenyl)propanamide

Systemtic Name: 3-[2-[bis(fluoranyl)methylsulfanyl]-6-methyl-4-oxidanylidene-1H-pyrimidin-5-yl]-N-(2-bromanyl-4-methyl-phenyl)propanamide Openeye Name: N-(2-bromo-4-methyl-phenyl)-3-[2-(difluoromethylsulfanyl)-6-methyl-4-oxo-1H-pyrimidin-5-yl]propanamide CAS Name: N-(2-bromo-4-methylphenyl)-3-[2-(difluoromethylthio)-6-methyl-4-oxo-1H-pyrimidin-5-yl]propanamide IUPAC Name: N-(2-bromo-4-methylphenyl)-3-[2-(difluoromethylsulfanyl)-6-methyl-4-oxo-1H-pyrimidin-5-yl]propanamide Traditional Name: N-(2-bromo-4-methyl-phenyl)-3-[2-(difluoromethylthio)-4-keto-6-methyl-1H-pyrimidin-5-yl]propionamide Formula: C16H16BrF2N3O2S MolecularWeight: 432.282946

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CCC2=C(NC(=NC2=O)SC(F)F)C)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CCC2=C(NC(=NC2=O)SC(F)F)C)Br

InChI

InChI=1S/C16H16BrF2N3O2S/c1-8-3-5-12(11(17)7-8)21-13(23)6-4-10-9(2)20-16(22-14(10)24)25-15(18)19/h3,5,7,15H,4,6H2,1-2H3,(H,21,23)(H,20,22,24)