N-[2,4-bis(fluoranyl)phenyl]-3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanamide

Systemtic Name: N-[2,4-bis(fluoranyl)phenyl]-3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanamide Openeye Name: N-(2,4-difluorophenyl)-3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanamide CAS Name: N-(2,4-difluorophenyl)-3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]propanamide IUPAC Name: N-(2,4-difluorophenyl)-3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanamide Traditional Name: N-(2,4-difluorophenyl)-3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]propionamide Formula: C16H17F2N3OS MolecularWeight: 337.387486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SC)C)CCC(=O)NC2=C(C=C(C=C2)F)F

Isomeric SMILES

CC1=C(C(=NC(=N1)SC)C)CCC(=O)NC2=C(C=C(C=C2)F)F

InChI

InChI=1S/C16H17F2N3OS/c1-9-12(10(2)20-16(19-9)23-3)5-7-15(22)21-14-6-4-11(17)8-13(14)18/h4,6,8H,5,7H2,1-3H3,(H,21,22)