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(2E)-2-[(1-ethyl-3-pyrazolyl)methylidene]-7-methyl-3-oxo-5-phenyl-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid ethyl ester
SpectraBase Compound ID 1ejrWZNcGrg
InChI InChI=1S/C22H22N4O3S/c1-4-25-12-11-16(24-25)13-17-20(27)26-19(15-9-7-6-8-10-15)18(21(28)29-5-2)14(3)23-22(26)30-17/h6-13,19H,4-5H2,1-3H3/b17-13+
InChIKey RESDYBIKDJUNCW-GHRIWEEISA-N
Mol Weight 422.5 g/mol
Molecular Formula C22H22N4O3S
Exact Mass 422.141262 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6ksQxM10cXd
Name (2E)-2-[(1-ethyl-3-pyrazolyl)methylidene]-7-methyl-3-oxo-5-phenyl-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid ethyl ester
Alternate Name(s) (2E)-2-[(1-ethylpyrazol-3-yl)methylene]-3-keto-7-methyl-5-phenyl-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid ethyl ester Ethyl (2E)-2-[(1-ethylpyrazol-3-yl)methylene]-7-methyl-3-oxo-5-phenyl-5H-thiazolo[3,2-a]pyrimidine-6-carboxylate Ethyl (2E)-2-[(1-ethylpyrazol-3-yl)methylidene]-7-methyl-3-oxidanylidene-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate Ethyl (2E)-2-[(1-ethylpyrazol-3-yl)methylidene]-7-methyl-3-oxo-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
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Formula C22H22N4O3S
InChI InChI=1S/C22H22N4O3S/c1-4-25-12-11-16(24-25)13-17-20(27)26-19(15-9-7-6-8-10-15)18(21(28)29-5-2)14(3)23-22(26)30-17/h6-13,19H,4-5H2,1-3H3/b17-13+
InChIKey RESDYBIKDJUNCW-GHRIWEEISA-N
Molecular Weight 422.503 g/mol
SMILES c1ccc(C2C(C(=O)OCC)=C(N=C3N2C(\C(=C/c2n[n](CC)cc2)S3)=O)C)cc1
SPLASH splash10-0002-4529200000-24bf7b28d9f8643e647f
Wiley ID 1445040