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1-[6-(4-Chloro-phenyl)-1-(6-chloro-pyridin-3-ylmethyl)-2-(6-chloro-pyridin-3-ylmethylsulfanyl)-4-methyl-1,6-dihydro-pyrimidin-5-yl]-ethnone

View entire compound with spectra: 1 MS (GC)

1-[6-(4-Chloro-phenyl)-1-(6-chloro-pyridin-3-ylmethyl)-2-(6-chloro-pyridin-3-ylmethylsulfanyl)-4-methyl-1,6-dihydro-pyrimidin-5-yl]-ethnone
SpectraBase Compound ID E75pjlq243i
InChI InChI=1S/C25H21Cl3N4OS/c1-15-23(16(2)33)24(19-5-7-20(26)8-6-19)32(13-17-3-9-21(27)29-11-17)25(31-15)34-14-18-4-10-22(28)30-12-18/h3-12,24H,13-14H2,1-2H3
InChIKey FNDFMLIKUACONV-UHFFFAOYSA-N
Mol Weight 531.89 g/mol
Molecular Formula C25H21Cl3N4OS
Exact Mass 530.050166 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Wi3596RK1j
Name 1-[6-(4-Chloro-phenyl)-1-(6-chloro-pyridin-3-ylmethyl)-2-(6-chloro-pyridin-3-ylmethylsulfanyl)-4-methyl-1,6-dihydro-pyrimidin-5-yl]-ethnone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H21Cl3N4OS
InChI InChI=1S/C25H21Cl3N4OS/c1-15-23(16(2)33)24(19-5-7-20(26)8-6-19)32(13-17-3-9-21(27)29-11-17)25(31-15)34-14-18-4-10-22(28)30-12-18/h3-12,24H,13-14H2,1-2H3
InChIKey FNDFMLIKUACONV-UHFFFAOYSA-N
Molecular Weight 531.889 g/mol
SMILES C=1(N(C(C(=C(N1)C)C(=O)C)c1ccc(cc1)Cl)Cc1cnc(cc1)Cl)SCc1cnc(cc1)Cl
SPLASH splash10-01ws-9230240000-527b306e3ad3d26a4bfe
Source of Spectrum Y-48-574-2a
Synonyms 1-[6-(4-chlorophenyl)-1-(6-chloropyridin-3-yl-methyl)-2-(6-chloropyridin-3-yl-methylthio)-4-methyl-1,6-dihydropyrimidin-5-yl]ethanone 1-[4-(4-chlorophenyl)-3-[(6-chloro-3-pyridinyl)methyl]-2-[(6-chloro-3-pyridinyl)methylthio]-6-methyl-4H-pyrimidin-5-yl]ethanone 1-[4-(4-chlorophenyl)-3-[(6-chloropyridin-3-yl)methyl]-2-[(6-chloropyridin-3-yl)methylsulfanyl]-6-methyl-4H-pyrimidin-5-yl]ethanone 1-[4-(4-chlorophenyl)-3-[(6-chloro-3-pyridyl)methyl]-2-[(6-chloro-3-pyridyl)methylsulfanyl]-6-methyl-4H-pyrimidin-5-yl]ethanone 1-[3-[(6-chloranylpyridin-3-yl)methyl]-2-[(6-chloranylpyridin-3-yl)methylsulfanyl]-4-(4-chlorophenyl)-6-methyl-4H-pyrimidin-5-yl]ethanone
Wiley ID 1667787