6-(4-fluorophenyl)-2-[3-(thiomorpholin-4-ium-4-ylmethyl)phenyl]-1H-pyrimidin-4-one

Systemtic Name: 6-(4-fluorophenyl)-2-[3-(thiomorpholin-4-ium-4-ylmethyl)phenyl]-1H-pyrimidin-4-one Openeye Name: 6-(4-fluorophenyl)-2-[3-(thiomorpholin-4-ium-4-ylmethyl)phenyl]-1H-pyrimidin-4-one CAS Name: 6-(4-fluorophenyl)-2-[3-(4-thiomorpholin-4-iumylmethyl)phenyl]-1H-pyrimidin-4-one IUPAC Name: 6-(4-fluorophenyl)-2-[3-(thiomorpholin-4-ium-4-ylmethyl)phenyl]-1H-pyrimidin-4-one Traditional Name: 6-(4-fluorophenyl)-2-[3-(thiomorpholin-4-ium-4-ylmethyl)phenyl]-1H-pyrimidin-4-one Formula: C21H21FN3OS+ MolecularWeight: 382.474343

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCC[NH+]1CC2=CC=CC(=C2)C3=NC(=O)C=C(N3)C4=CC=C(C=C4)F

Isomeric SMILES

C1CSCC[NH+]1CC2=CC=CC(=C2)C3=NC(=O)C=C(N3)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H20FN3OS/c22-18-6-4-16(5-7-18)19-13-20(26)24-21(23-19)17-3-1-2-15(12-17)14-25-8-10-27-11-9-25/h1-7,12-13H,8-11,14H2,(H,23,24,26)/p+1