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

Systemtic Name: (4-cyano-2-fluoranyl-phenyl)methyl 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate Openeye Name: (4-cyano-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-cyano-2-fluorophenyl)methyl ester IUPAC Name: (4-cyano-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-cyano-2-fluoro-benzyl) ester Formula: C18H18FN3O2S MolecularWeight: 359.417823

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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)C#N)F

Isomeric SMILES

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

InChI

InChI=1S/C18H18FN3O2S/c1-11-15(12(2)22-18(21-11)25-3)6-7-17(23)24-10-14-5-4-13(9-20)8-16(14)19/h4-5,8H,6-7,10H2,1-3H3