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(4-chlorophenyl)-[3-(4-methoxyphenyl)-6-(methylthio)-1-phenyl-2,4-dihydropyrimidin-5-yl]methanone
SpectraBase Compound ID 2JO0D9N7ZAe
InChI InChI=1S/C25H23ClN2O2S/c1-30-22-14-12-20(13-15-22)27-16-23(24(29)18-8-10-19(26)11-9-18)25(31-2)28(17-27)21-6-4-3-5-7-21/h3-15H,16-17H2,1-2H3
InChIKey PABHNHVYENGGSJ-UHFFFAOYSA-N
Mol Weight 450.98 g/mol
Molecular Formula C25H23ClN2O2S
Exact Mass 450.116877 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JBQilRKb5LT
Name (4-chlorophenyl)-[3-(4-methoxyphenyl)-6-(methylthio)-1-phenyl-2,4-dihydropyrimidin-5-yl]methanone
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Formula C25H23ClN2O2S
InChI InChI=1S/C25H23ClN2O2S/c1-30-22-14-12-20(13-15-22)27-16-23(24(29)18-8-10-19(26)11-9-18)25(31-2)28(17-27)21-6-4-3-5-7-21/h3-15H,16-17H2,1-2H3
InChIKey PABHNHVYENGGSJ-UHFFFAOYSA-N
Molecular Weight 450.984 g/mol
SMILES C1N(CC(=C(N1c1ccccc1)SC)C(c1ccc(cc1)Cl)=O)c1ccc(cc1)OC
SPLASH splash10-00kr-0960400000-426bf45a0fe6fda63f8c
Source of Spectrum Y-40-902-2
Synonyms (4-chlorophenyl)-[3-(4-methoxyphenyl)-6-methylsulfanyl-1-phenyl-2,4-dihydropyrimidin-5-yl]methanone
Wiley ID 1529043