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

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1-[1-(6-Chloro-pyridin-3-ylmethyl)-2-(6-chloro-pyridin-3-ylmethylsulfanyl)-4-methyl-6-phenyl-1,6-dihydro-pyrimidin-5-yl]-ethanone
SpectraBase Compound ID 4FKpa8JBfk1
InChI InChI=1S/C25H22Cl2N4OS/c1-16-23(17(2)32)24(20-6-4-3-5-7-20)31(14-18-8-10-21(26)28-12-18)25(30-16)33-15-19-9-11-22(27)29-13-19/h3-13,24H,14-15H2,1-2H3
InChIKey GPFZUDCWIQBNRM-UHFFFAOYSA-N
Mol Weight 497.44 g/mol
Molecular Formula C25H22Cl2N4OS
Exact Mass 496.089138 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7K5x2tcmwde
Name 1-[1-(6-Chloro-pyridin-3-ylmethyl)-2-(6-chloro-pyridin-3-ylmethylsulfanyl)-4-methyl-6-phenyl-1,6-dihydro-pyrimidin-5-yl]-ethanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H22Cl2N4OS
InChI InChI=1S/C25H22Cl2N4OS/c1-16-23(17(2)32)24(20-6-4-3-5-7-20)31(14-18-8-10-21(26)28-12-18)25(30-16)33-15-19-9-11-22(27)29-13-19/h3-13,24H,14-15H2,1-2H3
InChIKey GPFZUDCWIQBNRM-UHFFFAOYSA-N
Molecular Weight 497.444 g/mol
SMILES C=1(N(C(C(=C(N1)C)C(=O)C)c1ccccc1)Cc1cnc(cc1)Cl)SCc1cnc(cc1)Cl
SPLASH splash10-003r-9520000000-f3826fdcfeb65bd0670a
Source of Spectrum Y-48-574-2c
Synonyms 1-[1-(6-chloropyridin-3-yl-methyl)-2-(6-chloropyridin-3-yl-methylthio)-4-methyl-6-phenyl-1,6-dihydropyrimidin-5-yl]ethanone 1-[3-[(6-chloro-3-pyridinyl)methyl]-2-[(6-chloro-3-pyridinyl)methylthio]-6-methyl-4-phenyl-4H-pyrimidin-5-yl]ethanone 1-[3-[(6-chloropyridin-3-yl)methyl]-2-[(6-chloropyridin-3-yl)methylsulfanyl]-6-methyl-4-phenyl-4H-pyrimidin-5-yl]ethanone 1-[3-[(6-chloro-3-pyridyl)methyl]-2-[(6-chloro-3-pyridyl)methylsulfanyl]-6-methyl-4-phenyl-4H-pyrimidin-5-yl]ethanone 1-[3-[(6-chloranylpyridin-3-yl)methyl]-2-[(6-chloranylpyridin-3-yl)methylsulfanyl]-6-methyl-4-phenyl-4H-pyrimidin-5-yl]ethanone
Wiley ID 1667785