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1-[1-(6-Chloro-pyridin-3-ylmethyl)-2-(6-chloro-pyridin-3-ylmethylsulfanyl)-4-methyl-6-p-tolyl-1,6-dihydro-pyrimidin-5-y-ethanone
SpectraBase Compound ID LRdI98DbWGH
InChI InChI=1S/C26H24Cl2N4OS/c1-16-4-8-21(9-5-16)25-24(18(3)33)17(2)31-26(34-15-20-7-11-23(28)30-13-20)32(25)14-19-6-10-22(27)29-12-19/h4-13,25H,14-15H2,1-3H3
InChIKey ROMMMXSYIQUGQK-UHFFFAOYSA-N
Mol Weight 511.47 g/mol
Molecular Formula C26H24Cl2N4OS
Exact Mass 510.104788 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LcXszMRVDhA
Name 1-[1-(6-Chloro-pyridin-3-ylmethyl)-2-(6-chloro-pyridin-3-ylmethylsulfanyl)-4-methyl-6-p-tolyl-1,6-dihydro-pyrimidin-5-y-ethanone
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Formula C26H24Cl2N4OS
InChI InChI=1S/C26H24Cl2N4OS/c1-16-4-8-21(9-5-16)25-24(18(3)33)17(2)31-26(34-15-20-7-11-23(28)30-13-20)32(25)14-19-6-10-22(27)29-12-19/h4-13,25H,14-15H2,1-3H3
InChIKey ROMMMXSYIQUGQK-UHFFFAOYSA-N
Molecular Weight 511.471 g/mol
SMILES C=1(N(C(C(=C(N1)C)C(=O)C)c1ccc(cc1)C)Cc1cnc(cc1)Cl)SCc1cnc(cc1)Cl
SPLASH splash10-03dr-9312240000-e93f723117992668d329
Source of Spectrum Y-48-574-2b
Synonyms 1-[1-(6-chloropyridin-3-yl-methyl)-2-(6-chloropyridin-3-ylmethylthio)-4-methyl-6-(4-tolyl)-1,6-dihydropyrimidin-5-yl]ethanone 1-[3-[(6-chloro-3-pyridinyl)methyl]-2-[(6-chloro-3-pyridinyl)methylthio]-6-methyl-4-(4-methylphenyl)-4H-pyrimidin-5-yl]ethanone 1-[3-[(6-chloropyridin-3-yl)methyl]-2-[(6-chloropyridin-3-yl)methylsulfanyl]-6-methyl-4-(4-methylphenyl)-4H-pyrimidin-5-yl]ethanone 1-[3-[(6-chloro-3-pyridyl)methyl]-2-[(6-chloro-3-pyridyl)methylsulfanyl]-6-methyl-4-(p-tolyl)-4H-pyrimidin-5-yl]ethanone 1-[3-[(6-chloranylpyridin-3-yl)methyl]-2-[(6-chloranylpyridin-3-yl)methylsulfanyl]-6-methyl-4-(4-methylphenyl)-4H-pyrimidin-5-yl]ethanone
Wiley ID 1667786