(4-bromanyl-2-fluoranyl-phenyl)methyl 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate

Systemtic Name: (4-bromanyl-2-fluoranyl-phenyl)methyl 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate Openeye Name: (4-bromo-2-fluoro-phenyl)methyl 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate CAS Name: 3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]propanoic acid (4-bromo-2-fluorophenyl)methyl ester IUPAC Name: (4-bromo-2-fluorophenyl)methyl 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoate Traditional Name: 3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]propionic acid (4-bromo-2-fluoro-benzyl) ester Formula: C17H18BrFN2O2S MolecularWeight: 413.304423

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SC)C)CCC(=O)OCC2=C(C=C(C=C2)Br)F

Isomeric SMILES

CC1=C(C(=NC(=N1)SC)C)CCC(=O)OCC2=C(C=C(C=C2)Br)F

InChI

InChI=1S/C17H18BrFN2O2S/c1-10-14(11(2)21-17(20-10)24-3)6-7-16(22)23-9-12-4-5-13(18)8-15(12)19/h4-5,8H,6-7,9H2,1-3H3