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(2E)-5-(4-chlorophenyl)-2-[(1,5-dimethyl-4-pyrazolyl)methylidene]-7-methyl-3-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid ethyl ester
SpectraBase Compound ID 5bKnrTrGJvB
InChI InChI=1S/C22H21ClN4O3S/c1-5-30-21(29)18-12(2)25-22-27(19(18)14-6-8-16(23)9-7-14)20(28)17(31-22)10-15-11-24-26(4)13(15)3/h6-11,19H,5H2,1-4H3/b17-10+
InChIKey WSXRGPFVROZOCV-LICLKQGHSA-N
Mol Weight 456.95 g/mol
Molecular Formula C22H21ClN4O3S
Exact Mass 456.102289 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BsLXm8ORsma
Name (2E)-5-(4-chlorophenyl)-2-[(1,5-dimethyl-4-pyrazolyl)methylidene]-7-methyl-3-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid ethyl ester
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Formula C22H21ClN4O3S
InChI InChI=1S/C22H21ClN4O3S/c1-5-30-21(29)18-12(2)25-22-27(19(18)14-6-8-16(23)9-7-14)20(28)17(31-22)10-15-11-24-26(4)13(15)3/h6-11,19H,5H2,1-4H3/b17-10+
InChIKey WSXRGPFVROZOCV-LICLKQGHSA-N
Molecular Weight 456.948 g/mol
SMILES CCOC(C=1C(N2C(=NC1C)S\C(C2=O)=C/c1c([n](C)nc1)C)c1ccc(cc1)Cl)=O
SPLASH splash10-0f6t-3926100000-39ec41c2998eb10a7c1c
Synonyms (2E)-5-(4-chlorophenyl)-2-[(1,5-dimethylpyrazol-4-yl)methylene]-3-keto-7-methyl-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid ethyl ester Ethyl (2E)-5-(4-chlorophenyl)-2-[(1,5-dimethylpyrazol-4-yl)methylene]-7-methyl-3-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxylate Ethyl (2E)-5-(4-chlorophenyl)-2-[(1,5-dimethylpyrazol-4-yl)methylidene]-7-methyl-3-oxidanylidene-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate Ethyl (2E)-5-(4-chlorophenyl)-2-[(1,5-dimethylpyrazol-4-yl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Wiley ID 1447963