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

Systemtic Name: 2-[4-[(1S)-1-azaniumylethyl]-2-fluoranyl-phenyl]sulfanyl-6-propyl-pyrimidin-4-olate Openeye Name: 2-[4-[(1S)-1-azaniumylethyl]-2-fluoro-phenyl]sulfanyl-6-propyl-pyrimidin-4-olate CAS Name: 2-[[4-[(1S)-1-ammonioethyl]-2-fluorophenyl]thio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[4-[(1S)-1-azaniumylethyl]-2-fluorophenyl]sulfanyl-6-propylpyrimidin-4-olate Traditional Name: 2-[[4-[(1S)-1-ammonioethyl]-2-fluoro-phenyl]thio]-6-propyl-pyrimidin-4-olate Formula: C15H18FN3OS MolecularWeight: 307.386323

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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