S-[4-methyl-6-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-yl] 4-fluoranylbenzenecarbothioate

Systemtic Name: S-[4-methyl-6-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-yl] 4-fluoranylbenzenecarbothioate Openeye Name: S-[4-methyl-6-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-yl] 4-fluorobenzenecarbothioate CAS Name: 4-fluorobenzenecarbothioic acid S-[4-methyl-6-(4-methyl-1-piperazin-4-iumyl)-2-pyrimidinyl] ester IUPAC Name: S-[4-methyl-6-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-yl] 4-fluorobenzenecarbothioate Traditional Name: 4-fluorothiobenzoic acid S-[4-methyl-6-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-yl] ester Formula: C17H20FN4OS+ MolecularWeight: 347.430303

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC(=O)C2=CC=C(C=C2)F)N3CC[NH+](CC3)C

Isomeric SMILES

CC1=CC(=NC(=N1)SC(=O)C2=CC=C(C=C2)F)N3CC[NH+](CC3)C

InChI

InChI=1S/C17H19FN4OS/c1-12-11-15(22-9-7-21(2)8-10-22)20-17(19-12)24-16(23)13-3-5-14(18)6-4-13/h3-6,11H,7-10H2,1-2H3/p+1