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1-(6-Chloro-pyridin-3-ylmethyl)-2-(6-chloro-pyridin-3-ylmethylsulfanyl)-6-(4-methoxy-phenyl)-4-methyl-1,6-dihydro-pyrimidine-5-carboxylic acid ethyl ester
SpectraBase Compound ID GWbpYh3STrM
InChI InChI=1S/C27H26Cl2N4O3S/c1-4-36-26(34)24-17(2)32-27(37-16-19-6-12-23(29)31-14-19)33(15-18-5-11-22(28)30-13-18)25(24)20-7-9-21(35-3)10-8-20/h5-14,25H,4,15-16H2,1-3H3
InChIKey XWCUPGUYCQMAGD-UHFFFAOYSA-N
Mol Weight 557.5 g/mol
Molecular Formula C27H26Cl2N4O3S
Exact Mass 556.110267 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EDfv671VUmO
Name 1-(6-Chloro-pyridin-3-ylmethyl)-2-(6-chloro-pyridin-3-ylmethylsulfanyl)-6-(4-methoxy-phenyl)-4-methyl-1,6-dihydro-pyrimidine-5-carboxylic acid ethyl ester
Alternate Name(s) Ethyl 1-[1-(6-chloropyridin-3-yl-methyl)-2-(6-chloropyridin-3-ylmethylthio)-6-(4-methoxyphenyl)-4-methyl-1,6-dihydropyrimidin-5-yl]carboxylate 3-[(6-chloro-3-pyridinyl)methyl]-2-[(6-chloro-3-pyridinyl)methylthio]-4-(4-methoxyphenyl)-6-methyl-4H-pyrimidine-5-carboxylic acid ethyl ester Ethyl 3-[(6-chloropyridin-3-yl)methyl]-2-[(6-chloropyridin-3-yl)methylsulfanyl]-4-(4-methoxyphenyl)-6-methyl-4H-pyrimidine-5-carboxylate Ethyl 3-[(6-chloro-3-pyridyl)methyl]-2-[(6-chloro-3-pyridyl)methylsulfanyl]-4-(4-methoxyphenyl)-6-methyl-4H-pyrimidine-5-carboxylate Ethyl 3-[(6-chloranylpyridin-3-yl)methyl]-2-[(6-chloranylpyridin-3-yl)methylsulfanyl]-4-(4-methoxyphenyl)-6-methyl-4H-pyrimidine-5-carboxylate
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Formula C27H26Cl2N4O3S
InChI InChI=1S/C27H26Cl2N4O3S/c1-4-36-26(34)24-17(2)32-27(37-16-19-6-12-23(29)31-14-19)33(15-18-5-11-22(28)30-13-18)25(24)20-7-9-21(35-3)10-8-20/h5-14,25H,4,15-16H2,1-3H3
InChIKey XWCUPGUYCQMAGD-UHFFFAOYSA-N
Molecular Weight 557.496 g/mol
SMILES C=1(N(C(C(=C(N1)C)C(=O)OCC)c1ccc(cc1)OC)Cc1cnc(cc1)Cl)SCc1cnc(cc1)Cl
SPLASH splash10-0a4i-0000190000-ceaf8d6a9d0dd5f8eac5
Source of Spectrum Y-48-574-2i
Wiley ID 1667783