methyl 2-[2-[(5-cyano-2-fluoranyl-phenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-6-yl]ethanoate

Systemtic Name: methyl 2-[2-[(5-cyano-2-fluoranyl-phenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-6-yl]ethanoate Openeye Name: methyl 2-[2-[(5-cyano-2-fluoro-phenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-6-yl]acetate CAS Name: 2-[2-[(5-cyano-2-fluorophenyl)methylthio]-4-oxo-1H-pyrimidin-6-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[(5-cyano-2-fluorophenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-6-yl]acetate Traditional Name: 2-[2-[(5-cyano-2-fluoro-benzyl)thio]-4-keto-1H-pyrimidin-6-yl]acetic acid methyl ester Formula: C15H12FN3O3S MolecularWeight: 333.337483

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC(=O)N=C(N1)SCC2=C(C=CC(=C2)C#N)F

Isomeric SMILES

COC(=O)CC1=CC(=O)N=C(N1)SCC2=C(C=CC(=C2)C#N)F

InChI

InChI=1S/C15H12FN3O3S/c1-22-14(21)6-11-5-13(20)19-15(18-11)23-8-10-4-9(7-17)2-3-12(10)16/h2-5H,6,8H2,1H3,(H,18,19,20)