5-fluoranyl-6-methyl-2-[4-[(3-oxidanylazetidin-1-ium-1-yl)methyl]phenyl]pyrimidin-4-olate

Systemtic Name: 5-fluoranyl-6-methyl-2-[4-[(3-oxidanylazetidin-1-ium-1-yl)methyl]phenyl]pyrimidin-4-olate Openeye Name: 5-fluoro-2-[4-[(3-hydroxyazetidin-1-ium-1-yl)methyl]phenyl]-6-methyl-pyrimidin-4-olate CAS Name: 5-fluoro-2-[4-[(3-hydroxy-1-azetidin-1-iumyl)methyl]phenyl]-6-methyl-4-pyrimidinolate IUPAC Name: 5-fluoro-2-[4-[(3-hydroxyazetidin-1-ium-1-yl)methyl]phenyl]-6-methylpyrimidin-4-olate Traditional Name: 5-fluoro-2-[4-[(3-hydroxyazetidin-1-ium-1-yl)methyl]phenyl]-6-methyl-pyrimidin-4-olate Formula: C15H16FN3O2 MolecularWeight: 289.304843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=C(C=C2)C[NH+]3CC(C3)O)[O-])F

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=C(C=C2)C[NH+]3CC(C3)O)[O-])F

InChI

InChI=1S/C15H16FN3O2/c1-9-13(16)15(21)18-14(17-9)11-4-2-10(3-5-11)6-19-7-12(20)8-19/h2-5,12,20H,6-8H2,1H3,(H,17,18,21)