5-fluoranyl-2-[3-[[2-methoxyethyl-[(1-methylpyrazol-4-yl)methyl]azaniumyl]methyl]phenyl]-6-methyl-pyrimidin-4-olate

Systemtic Name: 5-fluoranyl-2-[3-[[2-methoxyethyl-[(1-methylpyrazol-4-yl)methyl]azaniumyl]methyl]phenyl]-6-methyl-pyrimidin-4-olate Openeye Name: 5-fluoro-2-[3-[[2-methoxyethyl-[(1-methylpyrazol-4-yl)methyl]ammonio]methyl]phenyl]-6-methyl-pyrimidin-4-olate CAS Name: 5-fluoro-2-[3-[[2-methoxyethyl-[(1-methyl-4-pyrazolyl)methyl]ammonio]methyl]phenyl]-6-methyl-4-pyrimidinolate IUPAC Name: 5-fluoro-2-[3-[[2-methoxyethyl-[(1-methylpyrazol-4-yl)methyl]azaniumyl]methyl]phenyl]-6-methylpyrimidin-4-olate Traditional Name: 5-fluoro-2-[3-[[2-methoxyethyl-[(1-methylpyrazol-4-yl)methyl]ammonio]methyl]phenyl]-6-methyl-pyrimidin-4-olate Formula: C20H24FN5O2 MolecularWeight: 385.435263

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24FN5O2/c1-14-18(21)20(27)24-19(23-14)17-6-4-5-15(9-17)12-26(7-8-28-3)13-16-10-22-25(2)11-16/h4-6,9-11H,7-8,12-13H2,1-3H3,(H,23,24,27)