2-[6-[(4-bromanyl-2-fluoranyl-phenyl)methylsulfanyl]-2-tert-butyl-5-cyano-pyrimidin-4-yl]oxyethanoic acid

Systemtic Name: 2-[6-[(4-bromanyl-2-fluoranyl-phenyl)methylsulfanyl]-2-tert-butyl-5-cyano-pyrimidin-4-yl]oxyethanoic acid Openeye Name: 2-[6-[(4-bromo-2-fluoro-phenyl)methylsulfanyl]-2-tert-butyl-5-cyano-pyrimidin-4-yl]oxyacetic acid CAS Name: 2-[[6-[(4-bromo-2-fluorophenyl)methylthio]-2-tert-butyl-5-cyano-4-pyrimidinyl]oxy]acetic acid IUPAC Name: 2-[6-[(4-bromo-2-fluorophenyl)methylsulfanyl]-2-tert-butyl-5-cyanopyrimidin-4-yl]oxyacetic acid Traditional Name: 2-[6-[(4-bromo-2-fluoro-benzyl)thio]-2-tert-butyl-5-cyano-pyrimidin-4-yl]oxyacetic acid Formula: C18H17BrFN3O3S MolecularWeight: 454.313283

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC(=C(C(=N1)SCC2=C(C=C(C=C2)Br)F)C#N)OCC(=O)O

Isomeric SMILES

CC(C)(C)C1=NC(=C(C(=N1)SCC2=C(C=C(C=C2)Br)F)C#N)OCC(=O)O

InChI

InChI=1S/C18H17BrFN3O3S/c1-18(2,3)17-22-15(26-8-14(24)25)12(7-21)16(23-17)27-9-10-4-5-11(19)6-13(10)20/h4-6H,8-9H2,1-3H3,(H,24,25)