[3-[6-(4-fluorophenyl)-4-oxidanylidene-1H-pyrimidin-2-yl]phenyl]methyl-methyl-(pyrimidin-4-ylmethyl)azanium

Systemtic Name: [3-[6-(4-fluorophenyl)-4-oxidanylidene-1H-pyrimidin-2-yl]phenyl]methyl-methyl-(pyrimidin-4-ylmethyl)azanium Openeye Name: [3-[6-(4-fluorophenyl)-4-oxo-1H-pyrimidin-2-yl]phenyl]methyl-methyl-(pyrimidin-4-ylmethyl)ammonium CAS Name: [3-[6-(4-fluorophenyl)-4-oxo-1H-pyrimidin-2-yl]phenyl]methyl-methyl-(4-pyrimidinylmethyl)ammonium IUPAC Name: [3-[6-(4-fluorophenyl)-4-oxo-1H-pyrimidin-2-yl]phenyl]methyl-methyl-(pyrimidin-4-ylmethyl)azanium Traditional Name: [3-[6-(4-fluorophenyl)-4-keto-1H-pyrimidin-2-yl]benzyl]-methyl-(4-pyrimidylmethyl)ammonium Formula: C23H21FN5O+ MolecularWeight: 402.444143

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=NC=NC=C1)CC2=CC=CC(=C2)C3=NC(=O)C=C(N3)C4=CC=C(C=C4)F

Isomeric SMILES

C[NH+](CC1=NC=NC=C1)CC2=CC=CC(=C2)C3=NC(=O)C=C(N3)C4=CC=C(C=C4)F

InChI

InChI=1S/C23H20FN5O/c1-29(14-20-9-10-25-15-26-20)13-16-3-2-4-18(11-16)23-27-21(12-22(30)28-23)17-5-7-19(24)8-6-17/h2-12,15H,13-14H2,1H3,(H,27,28,30)/p+1