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

Systemtic Name: [(1S)-1-[5-fluoranyl-2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]phenyl]ethyl]azanium Openeye Name: [(1S)-1-[5-fluoro-2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]phenyl]ethyl]ammonium CAS Name: [(1S)-1-[5-fluoro-2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)thio]phenyl]ethyl]ammonium IUPAC Name: [(1S)-1-[5-fluoro-2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]phenyl]ethyl]azanium Traditional Name: [(1S)-1-[5-fluoro-2-[(4-keto-6-propyl-1H-pyrimidin-2-yl)thio]phenyl]ethyl]ammonium Formula: C15H19FN3OS+ MolecularWeight: 308.394263

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SC2=C(C=C(C=C2)F)C(C)[NH3+]

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SC2=C(C=C(C=C2)F)[C@H](C)[NH3+]

InChI

InChI=1S/C15H18FN3OS/c1-3-4-11-8-14(20)19-15(18-11)21-13-6-5-10(16)7-12(13)9(2)17/h5-9H,3-4,17H2,1-2H3,(H,18,19,20)/p+1/t9-/m0/s1