[[2-bromanyl-4-(4-pyrimidin-2-ylsulfanylbutyl)phenyl]-bis(fluoranyl)methyl]phosphonic acid

Systemtic Name: [[2-bromanyl-4-(4-pyrimidin-2-ylsulfanylbutyl)phenyl]-bis(fluoranyl)methyl]phosphonic acid Openeye Name: [[2-bromo-4-(4-pyrimidin-2-ylsulfanylbutyl)phenyl]-difluoro-methyl]phosphonic acid CAS Name: [[2-bromo-4-[4-(2-pyrimidinylthio)butyl]phenyl]-difluoromethyl]phosphonic acid IUPAC Name: [[2-bromo-4-(4-pyrimidin-2-ylsulfanylbutyl)phenyl]-difluoromethyl]phosphonic acid Traditional Name: [[2-bromo-4-[4-(2-pyrimidylthio)butyl]phenyl]-difluoro-methyl]phosphonic acid Formula: C15H16BrF2N2O3PS MolecularWeight: 453.238707

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1)SCCCCC2=CC(=C(C=C2)C(F)(F)P(=O)(O)O)Br

Isomeric SMILES

C1=CN=C(N=C1)SCCCCC2=CC(=C(C=C2)C(F)(F)P(=O)(O)O)Br

InChI

InChI=1S/C15H16BrF2N2O3PS/c16-13-10-11(5-6-12(13)15(17,18)24(21,22)23)4-1-2-9-25-14-19-7-3-8-20-14/h3,5-8,10H,1-2,4,9H2,(H2,21,22,23)