[(1S)-1-[5-fluoranyl-2-[(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]phenyl]ethyl]azanium

Systemtic Name: [(1S)-1-[5-fluoranyl-2-[(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]phenyl]ethyl]azanium Openeye Name: [(1S)-1-[5-fluoro-2-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]phenyl]ethyl]ammonium CAS Name: [(1S)-1-[5-fluoro-2-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)thio]phenyl]ethyl]ammonium IUPAC Name: [(1S)-1-[5-fluoro-2-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]phenyl]ethyl]azanium Traditional Name: [(1S)-1-[5-fluoro-2-[(4-keto-6-methyl-1H-pyrimidin-2-yl)thio]phenyl]ethyl]ammonium Formula: C13H15FN3OS+ MolecularWeight: 280.341103

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N=C(N1)SC2=C(C=C(C=C2)F)C(C)[NH3+]

Isomeric SMILES

CC1=CC(=O)N=C(N1)SC2=C(C=C(C=C2)F)[C@H](C)[NH3+]

InChI

InChI=1S/C13H14FN3OS/c1-7-5-12(18)17-13(16-7)19-11-4-3-9(14)6-10(11)8(2)15/h3-6,8H,15H2,1-2H3,(H,16,17,18)/p+1/t8-/m0/s1