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

Systemtic Name: 3-[2-[bis(fluoranyl)methylsulfanyl]-6-methyl-4-oxidanylidene-1H-pyrimidin-5-yl]-N-(3-iodanylphenyl)propanamide Openeye Name: 3-[2-(difluoromethylsulfanyl)-6-methyl-4-oxo-1H-pyrimidin-5-yl]-N-(3-iodophenyl)propanamide CAS Name: 3-[2-(difluoromethylthio)-6-methyl-4-oxo-1H-pyrimidin-5-yl]-N-(3-iodophenyl)propanamide IUPAC Name: 3-[2-(difluoromethylsulfanyl)-6-methyl-4-oxo-1H-pyrimidin-5-yl]-N-(3-iodophenyl)propanamide Traditional Name: 3-[2-(difluoromethylthio)-4-keto-6-methyl-1H-pyrimidin-5-yl]-N-(3-iodophenyl)propionamide Formula: C15H14F2IN3O2S MolecularWeight: 465.256836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SC(F)F)CCC(=O)NC2=CC(=CC=C2)I

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SC(F)F)CCC(=O)NC2=CC(=CC=C2)I

InChI

InChI=1S/C15H14F2IN3O2S/c1-8-11(13(23)21-15(19-8)24-14(16)17)5-6-12(22)20-10-4-2-3-9(18)7-10/h2-4,7,14H,5-6H2,1H3,(H,20,22)(H,19,21,23)