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

Systemtic Name: 5-fluoranyl-2-[4-[[isoquinolin-5-ylmethyl(methyl)azaniumyl]methyl]phenyl]-6-methyl-pyrimidin-4-olate Openeye Name: 5-fluoro-2-[4-[[5-isoquinolylmethyl(methyl)ammonio]methyl]phenyl]-6-methyl-pyrimidin-4-olate CAS Name: 5-fluoro-2-[4-[[5-isoquinolinylmethyl(methyl)ammonio]methyl]phenyl]-6-methyl-4-pyrimidinolate IUPAC Name: 5-fluoro-2-[4-[[isoquinolin-5-ylmethyl(methyl)azaniumyl]methyl]phenyl]-6-methylpyrimidin-4-olate Traditional Name: 5-fluoro-2-[4-[[5-isoquinolylmethyl(methyl)ammonio]methyl]phenyl]-6-methyl-pyrimidin-4-olate Formula: C23H21FN4O MolecularWeight: 388.437443

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=C(C=C2)C[NH+](C)CC3=CC=CC4=C3C=CN=C4)[O-])F

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=C(C=C2)C[NH+](C)CC3=CC=CC4=C3C=CN=C4)[O-])F

InChI

InChI=1S/C23H21FN4O/c1-15-21(24)23(29)27-22(26-15)17-8-6-16(7-9-17)13-28(2)14-19-5-3-4-18-12-25-11-10-20(18)19/h3-12H,13-14H2,1-2H3,(H,26,27,29)