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2-[(4'-Fluorophenacylmethyl)thio]-5-ethyl-6-phenylthio pyrimidin-4(1H)-one
SpectraBase Compound ID IPEbqODpdDU
InChI InChI=1S/C20H17FN2O2S2/c1-2-16-18(25)22-20(23-19(16)27-15-6-4-3-5-7-15)26-12-17(24)13-8-10-14(21)11-9-13/h3-11H,2,12H2,1H3,(H,22,23,25)
InChIKey KLBTVNVZCVYYTP-UHFFFAOYSA-N
Mol Weight 400.49 g/mol
Molecular Formula C20H17FN2O2S2
Exact Mass 400.071548 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H7aWSjKj3mg
Name 2-[(4'-Fluorophenacylmethyl)thio]-5-ethyl-6-phenylthio pyrimidin-4(1H)-one
Alternate Name(s) 2-[(4'-Fluorophenacylmethyl)thio]-5-ethyl-6-phenylthio pyrimidin-4(3H)-one 5-Ethyl-2-((2-(4-fluorophenyl)-2-oxoethyl)thio)-6-(phenylthio)pyrimidin-4(3H)-one 5-Ethyl-2-((2-(4-fluorophenyl)-2-oxoethyl)thio)-6-(phenylthio)pyrimidin-4(1H)-one 5-Ethyl-2-[[2-(4-fluorophenyl)-2-oxoethyl]thio]-4-(phenylthio)-1H-pyrimidin-6-one 5-Ethyl-2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-4-phenylsulfanyl-1H-pyrimidin-6-one 5-Ethyl-2-[2-(4-fluorophenyl)-2-oxo-ethyl]sulfanyl-4-phenylsulfanyl-1H-pyrimidin-6-one 5-Ethyl-2-[2-(4-fluorophenyl)-2-oxidanylidene-ethyl]sulfanyl-4-phenylsulfanyl-1H-pyrimidin-6-one
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Formula C20H17FN2O2S2
InChI InChI=1S/C20H17FN2O2S2/c1-2-16-18(25)22-20(23-19(16)27-15-6-4-3-5-7-15)26-12-17(24)13-8-10-14(21)11-9-13/h3-11H,2,12H2,1H3,(H,22,23,25)
InChIKey KLBTVNVZCVYYTP-UHFFFAOYSA-N
Molecular Weight 400.486 g/mol
SMILES N1C(=C(C(N=C1SCC(c1ccc(cc1)F)=O)=O)CC)Sc1ccccc1
SPLASH splash10-00fr-0980000000-b2f3c889ca3456d65de5
Source of Spectrum APC-338-460-6f
Wiley ID 1768637