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1-(6-Chloro-pyridin-3-ylmethyl)-2-(6-chloro-pyridin-3-ylmethylsulfanyl)-4-methyl-6-phenyl-1,6-dihyro-pyrimidine-5-carboxylic acid ethyl ester
SpectraBase Compound ID HuyiFO7161n
InChI InChI=1S/C26H24Cl2N4O2S/c1-3-34-25(33)23-17(2)31-26(35-16-19-10-12-22(28)30-14-19)32(15-18-9-11-21(27)29-13-18)24(23)20-7-5-4-6-8-20/h4-14,24H,3,15-16H2,1-2H3
InChIKey OMJCKYOHCHGRQP-UHFFFAOYSA-N
Mol Weight 527.47 g/mol
Molecular Formula C26H24Cl2N4O2S
Exact Mass 526.099703 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7TxU4pY6MJx
Name 1-(6-Chloro-pyridin-3-ylmethyl)-2-(6-chloro-pyridin-3-ylmethylsulfanyl)-4-methyl-6-phenyl-1,6-dihyro-pyrimidine-5-carboxylic acid ethyl ester
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Formula C26H24Cl2N4O2S
InChI InChI=1S/C26H24Cl2N4O2S/c1-3-34-25(33)23-17(2)31-26(35-16-19-10-12-22(28)30-14-19)32(15-18-9-11-21(27)29-13-18)24(23)20-7-5-4-6-8-20/h4-14,24H,3,15-16H2,1-2H3
InChIKey OMJCKYOHCHGRQP-UHFFFAOYSA-N
Molecular Weight 527.470 g/mol
SMILES C=1(N(C(C(=C(N1)C)C(=O)OCC)c1ccccc1)Cc1cnc(cc1)Cl)SCc1cnc(cc1)Cl
SPLASH splash10-004i-4900120000-1be93061dd60b6faa7b6
Source of Spectrum Y-48-574-2h
Synonyms Ethyl 1-[1-(6-chloropyridin-3-yl-methyl)-2-(6-chloropyridin-3-ylmethylthio)-6-(phenyl)-4-methyl-1,6-dihydropyrimidin-5-yl]carboxylate 3-[(6-chloro-3-pyridinyl)methyl]-2-[(6-chloro-3-pyridinyl)methylthio]-6-methyl-4-phenyl-4H-pyrimidine-5-carboxylic acid ethyl ester Ethyl 3-[(6-chloropyridin-3-yl)methyl]-2-[(6-chloropyridin-3-yl)methylsulfanyl]-6-methyl-4-phenyl-4H-pyrimidine-5-carboxylate Ethyl 3-[(6-chloro-3-pyridyl)methyl]-2-[(6-chloro-3-pyridyl)methylsulfanyl]-6-methyl-4-phenyl-4H-pyrimidine-5-carboxylate Ethyl 3-[(6-chloranylpyridin-3-yl)methyl]-2-[(6-chloranylpyridin-3-yl)methylsulfanyl]-6-methyl-4-phenyl-4H-pyrimidine-5-carboxylate
Wiley ID 1667784