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2-[(4'-Methoxyphenacylmethyl)thio]-5-ethyl-6-phenylthio pyrimidin-4(3H)-one
SpectraBase Compound ID 9SeLi7Mf6rC
InChI InChI=1S/C21H20N2O3S2/c1-3-17-19(25)22-21(23-20(17)28-16-7-5-4-6-8-16)27-13-18(24)14-9-11-15(26-2)12-10-14/h4-12H,3,13H2,1-2H3,(H,22,23,25)
InChIKey CFONHPFYALKDQG-UHFFFAOYSA-N
Mol Weight 412.52 g/mol
Molecular Formula C21H20N2O3S2
Exact Mass 412.091535 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I9CFm32ff1l
Name 2-[(4'-Methoxyphenacylmethyl)thio]-5-ethyl-6-phenylthio pyrimidin-4(3H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H20N2O3S2
InChI InChI=1S/C21H20N2O3S2/c1-3-17-19(25)22-21(23-20(17)28-16-7-5-4-6-8-16)27-13-18(24)14-9-11-15(26-2)12-10-14/h4-12H,3,13H2,1-2H3,(H,22,23,25)
InChIKey CFONHPFYALKDQG-UHFFFAOYSA-N
Molecular Weight 412.522 g/mol
SMILES N1C(C(=C(N=C1SCC(c1ccc(cc1)OC)=O)Sc1ccccc1)CC)=O
SPLASH splash10-01ti-0590200000-36cc5a025b4424ad9c19
Source of Spectrum APC-338-460-5g
Synonyms 5-Ethyl-2-((2-(4-methoxyphenyl)-2-oxoethyl)thio)-6-(phenylthio)pyrimidin-4(3H)-one 5-Ethyl-2-[[2-(4-methoxyphenyl)-2-oxoethyl]thio]-4-(phenylthio)-1H-pyrimidin-6-one 5-Ethyl-2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-4-phenylsulfanyl-1H-pyrimidin-6-one 5-Ethyl-2-[2-(4-methoxyphenyl)-2-oxo-ethyl]sulfanyl-4-phenylsulfanyl-1H-pyrimidin-6-one 5-Ethyl-2-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-4-phenylsulfanyl-1H-pyrimidin-6-one
Wiley ID 1768636