[5-chloranyl-2-[(4-fluorophenyl)methylsulfanyl]pyrimidin-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone

Systemtic Name: [5-chloranyl-2-[(4-fluorophenyl)methylsulfanyl]pyrimidin-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Openeye Name: [5-chloro-2-[(4-fluorophenyl)methylsulfanyl]pyrimidin-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone CAS Name: [5-chloro-2-[(4-fluorophenyl)methylthio]-4-pyrimidinyl]-(4-methyl-1-piperazin-4-iumyl)methanone IUPAC Name: [5-chloro-2-[(4-fluorophenyl)methylsulfanyl]pyrimidin-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Traditional Name: [5-chloro-2-[(4-fluorobenzyl)thio]pyrimidin-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Formula: C17H19ClFN4OS+ MolecularWeight: 381.875363

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C2=NC(=NC=C2Cl)SCC3=CC=C(C=C3)F

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)C2=NC(=NC=C2Cl)SCC3=CC=C(C=C3)F

InChI

InChI=1S/C17H18ClFN4OS/c1-22-6-8-23(9-7-22)16(24)15-14(18)10-20-17(21-15)25-11-12-2-4-13(19)5-3-12/h2-5,10H,6-9,11H2,1H3/p+1