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

Systemtic Name: 5-fluoranyl-6-methyl-2-[4-[(4-pyrimidin-2-yloxypiperidin-1-ium-1-yl)methyl]phenyl]pyrimidin-4-olate Openeye Name: 5-fluoro-6-methyl-2-[4-[(4-pyrimidin-2-yloxypiperidin-1-ium-1-yl)methyl]phenyl]pyrimidin-4-olate CAS Name: 5-fluoro-6-methyl-2-[4-[[4-(2-pyrimidinyloxy)-1-piperidin-1-iumyl]methyl]phenyl]-4-pyrimidinolate IUPAC Name: 5-fluoro-6-methyl-2-[4-[(4-pyrimidin-2-yloxypiperidin-1-ium-1-yl)methyl]phenyl]pyrimidin-4-olate Traditional Name: 5-fluoro-6-methyl-2-[4-[[4-(2-pyrimidyloxy)piperidin-1-ium-1-yl]methyl]phenyl]pyrimidin-4-olate Formula: C21H22FN5O2 MolecularWeight: 395.430083

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=C(C=C2)C[NH+]3CCC(CC3)OC4=NC=CC=N4)[O-])F

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=C(C=C2)C[NH+]3CCC(CC3)OC4=NC=CC=N4)[O-])F

InChI

InChI=1S/C21H22FN5O2/c1-14-18(22)20(28)26-19(25-14)16-5-3-15(4-6-16)13-27-11-7-17(8-12-27)29-21-23-9-2-10-24-21/h2-6,9-10,17H,7-8,11-13H2,1H3,(H,25,26,28)