2-[3-[[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl-methyl-azaniumyl]methyl]phenyl]-5-fluoranyl-6-methyl-pyrimidin-4-olate

Systemtic Name: 2-[3-[[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl-methyl-azaniumyl]methyl]phenyl]-5-fluoranyl-6-methyl-pyrimidin-4-olate Openeye Name: 2-[3-[[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl-methyl-ammonio]methyl]phenyl]-5-fluoro-6-methyl-pyrimidin-4-olate CAS Name: 2-[3-[[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl-methylammonio]methyl]phenyl]-5-fluoro-6-methyl-4-pyrimidinolate IUPAC Name: 2-[3-[[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl-methylazaniumyl]methyl]phenyl]-5-fluoro-6-methylpyrimidin-4-olate Traditional Name: 2-[3-[[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl-methyl-ammonio]methyl]phenyl]-5-fluoro-6-methyl-pyrimidin-4-olate Formula: C21H26FN5O MolecularWeight: 383.462443

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)C)CCC[NH+](C)CC2=CC=CC(=C2)C3=NC(=C(C(=N3)[O-])F)C

Isomeric SMILES

CC1=C(C(=NN1)C)CCC[NH+](C)CC2=CC=CC(=C2)C3=NC(=C(C(=N3)[O-])F)C

InChI

InChI=1S/C21H26FN5O/c1-13-18(14(2)26-25-13)9-6-10-27(4)12-16-7-5-8-17(11-16)20-23-15(3)19(22)21(28)24-20/h5,7-8,11H,6,9-10,12H2,1-4H3,(H,25,26)(H,23,24,28)