[[2-bromanyl-4-(3-pyrimidin-2-ylsulfanylpropyl)phenyl]-bis(fluoranyl)methyl]phosphonic acid

Systemtic Name: [[2-bromanyl-4-(3-pyrimidin-2-ylsulfanylpropyl)phenyl]-bis(fluoranyl)methyl]phosphonic acid Openeye Name: [[2-bromo-4-(3-pyrimidin-2-ylsulfanylpropyl)phenyl]-difluoro-methyl]phosphonic acid CAS Name: [[2-bromo-4-[3-(2-pyrimidinylthio)propyl]phenyl]-difluoromethyl]phosphonic acid IUPAC Name: [[2-bromo-4-(3-pyrimidin-2-ylsulfanylpropyl)phenyl]-difluoromethyl]phosphonic acid Traditional Name: [[2-bromo-4-[3-(2-pyrimidylthio)propyl]phenyl]-difluoro-methyl]phosphonic acid Formula: C14H14BrF2N2O3PS MolecularWeight: 439.212127

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1)SCCCC2=CC(=C(C=C2)C(F)(F)P(=O)(O)O)Br

Isomeric SMILES

C1=CN=C(N=C1)SCCCC2=CC(=C(C=C2)C(F)(F)P(=O)(O)O)Br

InChI

InChI=1S/C14H14BrF2N2O3PS/c15-12-9-10(3-1-8-24-13-18-6-2-7-19-13)4-5-11(12)14(16,17)23(20,21)22/h2,4-7,9H,1,3,8H2,(H2,20,21,22)