2-[4-[(4-bromanyl-2-fluoranyl-phenyl)methylsulfanyl]-5-cyano-2-cyclohexyl-6-oxidanylidene-pyrimidin-1-yl]ethanoic acid

Systemtic Name: 2-[4-[(4-bromanyl-2-fluoranyl-phenyl)methylsulfanyl]-5-cyano-2-cyclohexyl-6-oxidanylidene-pyrimidin-1-yl]ethanoic acid Openeye Name: 2-[4-[(4-bromo-2-fluoro-phenyl)methylsulfanyl]-5-cyano-2-cyclohexyl-6-oxo-pyrimidin-1-yl]acetic acid CAS Name: 2-[4-[(4-bromo-2-fluorophenyl)methylthio]-5-cyano-2-cyclohexyl-6-oxo-1-pyrimidinyl]acetic acid IUPAC Name: 2-[4-[(4-bromo-2-fluorophenyl)methylsulfanyl]-5-cyano-2-cyclohexyl-6-oxopyrimidin-1-yl]acetic acid Traditional Name: 2-[4-[(4-bromo-2-fluoro-benzyl)thio]-5-cyano-2-cyclohexyl-6-keto-pyrimidin-1-yl]acetic acid Formula: C20H19BrFN3O3S MolecularWeight: 480.350563

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=NC(=C(C(=O)N2CC(=O)O)C#N)SCC3=C(C=C(C=C3)Br)F

Isomeric SMILES

C1CCC(CC1)C2=NC(=C(C(=O)N2CC(=O)O)C#N)SCC3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C20H19BrFN3O3S/c21-14-7-6-13(16(22)8-14)11-29-19-15(9-23)20(28)25(10-17(26)27)18(24-19)12-4-2-1-3-5-12/h6-8,12H,1-5,10-11H2,(H,26,27)