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

Systemtic Name: methyl 2-[2-[(4-bromanyl-2-fluoranyl-phenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-6-yl]ethanoate Openeye Name: methyl 2-[2-[(4-bromo-2-fluoro-phenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-6-yl]acetate CAS Name: 2-[2-[(4-bromo-2-fluorophenyl)methylthio]-4-oxo-1H-pyrimidin-6-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[(4-bromo-2-fluorophenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-6-yl]acetate Traditional Name: 2-[2-[(4-bromo-2-fluoro-benzyl)thio]-4-keto-1H-pyrimidin-6-yl]acetic acid methyl ester Formula: C14H12BrFN2O3S MolecularWeight: 387.224083

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12BrFN2O3S/c1-21-13(20)6-10-5-12(19)18-14(17-10)22-7-8-2-3-9(15)4-11(8)16/h2-5H,6-7H2,1H3,(H,17,18,19)