5-fluoranyl-6-methyl-2-[2-(thiomorpholin-4-ium-4-ylmethyl)phenyl]-1H-pyrimidin-4-one

Systemtic Name: 5-fluoranyl-6-methyl-2-[2-(thiomorpholin-4-ium-4-ylmethyl)phenyl]-1H-pyrimidin-4-one Openeye Name: 5-fluoro-6-methyl-2-[2-(thiomorpholin-4-ium-4-ylmethyl)phenyl]-1H-pyrimidin-4-one CAS Name: 5-fluoro-6-methyl-2-[2-(4-thiomorpholin-4-iumylmethyl)phenyl]-1H-pyrimidin-4-one IUPAC Name: 5-fluoro-6-methyl-2-[2-(thiomorpholin-4-ium-4-ylmethyl)phenyl]-1H-pyrimidin-4-one Traditional Name: 5-fluoro-6-methyl-2-[2-(thiomorpholin-4-ium-4-ylmethyl)phenyl]-1H-pyrimidin-4-one Formula: C16H19FN3OS+ MolecularWeight: 320.404963

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)C2=CC=CC=C2C[NH+]3CCSCC3)F

Isomeric SMILES

CC1=C(C(=O)N=C(N1)C2=CC=CC=C2C[NH+]3CCSCC3)F

InChI

InChI=1S/C16H18FN3OS/c1-11-14(17)16(21)19-15(18-11)13-5-3-2-4-12(13)10-20-6-8-22-9-7-20/h2-5H,6-10H2,1H3,(H,18,19,21)/p+1