2-[4-[(1S)-1-azaniumylethyl]-2-fluoranyl-phenyl]sulfanyl-6-methyl-pyrimidin-4-olate

Systemtic Name: 2-[4-[(1S)-1-azaniumylethyl]-2-fluoranyl-phenyl]sulfanyl-6-methyl-pyrimidin-4-olate Openeye Name: 2-[4-[(1S)-1-azaniumylethyl]-2-fluoro-phenyl]sulfanyl-6-methyl-pyrimidin-4-olate CAS Name: 2-[[4-[(1S)-1-ammonioethyl]-2-fluorophenyl]thio]-6-methyl-4-pyrimidinolate IUPAC Name: 2-[4-[(1S)-1-azaniumylethyl]-2-fluorophenyl]sulfanyl-6-methylpyrimidin-4-olate Traditional Name: 2-[[4-[(1S)-1-ammonioethyl]-2-fluoro-phenyl]thio]-6-methyl-pyrimidin-4-olate Formula: C13H14FN3OS MolecularWeight: 279.333163

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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