5-fluoranyl-6-methyl-2-[4-[[methyl(thiophen-3-ylmethyl)azaniumyl]methyl]phenyl]pyrimidin-4-olate

Systemtic Name: 5-fluoranyl-6-methyl-2-[4-[[methyl(thiophen-3-ylmethyl)azaniumyl]methyl]phenyl]pyrimidin-4-olate Openeye Name: 5-fluoro-6-methyl-2-[4-[[methyl(3-thienylmethyl)ammonio]methyl]phenyl]pyrimidin-4-olate CAS Name: 5-fluoro-6-methyl-2-[4-[[methyl(3-thiophenylmethyl)ammonio]methyl]phenyl]-4-pyrimidinolate IUPAC Name: 5-fluoro-6-methyl-2-[4-[[methyl(thiophen-3-ylmethyl)azaniumyl]methyl]phenyl]pyrimidin-4-olate Traditional Name: 5-fluoro-6-methyl-2-[4-[[methyl(3-thenyl)ammonio]methyl]phenyl]pyrimidin-4-olate Formula: C18H18FN3OS MolecularWeight: 343.418423

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=C(C=C2)C[NH+](C)CC3=CSC=C3)[O-])F

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=C(C=C2)C[NH+](C)CC3=CSC=C3)[O-])F

InChI

InChI=1S/C18H18FN3OS/c1-12-16(19)18(23)21-17(20-12)15-5-3-13(4-6-15)9-22(2)10-14-7-8-24-11-14/h3-8,11H,9-10H2,1-2H3,(H,20,21,23)