2-[[5-bromanyl-2-[(4-fluorophenyl)methylsulfanyl]pyrimidin-4-yl]carbonylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[5-bromanyl-2-[(4-fluorophenyl)methylsulfanyl]pyrimidin-4-yl]carbonylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[5-bromo-2-[(4-fluorophenyl)methylsulfanyl]pyrimidine-4-carbonyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[5-bromo-2-[(4-fluorophenyl)methylthio]-4-pyrimidinyl]-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[5-bromo-2-[(4-fluorophenyl)methylsulfanyl]pyrimidine-4-carbonyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[5-bromo-2-[(4-fluorobenzyl)thio]pyrimidine-4-carbonyl]amino]ethyl-dimethyl-ammonium Formula: C16H19BrFN4OS+ MolecularWeight: 414.315663

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC(=O)C1=NC(=NC=C1Br)SCC2=CC=C(C=C2)F

Isomeric SMILES

C[NH+](C)CCNC(=O)C1=NC(=NC=C1Br)SCC2=CC=C(C=C2)F

InChI

InChI=1S/C16H18BrFN4OS/c1-22(2)8-7-19-15(23)14-13(17)9-20-16(21-14)24-10-11-3-5-12(18)6-4-11/h3-6,9H,7-8,10H2,1-2H3,(H,19,23)/p+1