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(2E)-2-[(2-ethyl-3-pyrazolyl)methylidene]-5-(4-methoxyphenyl)-7-methyl-3-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid methyl ester
SpectraBase Compound ID CA4SDiYfXyT
InChI InChI=1S/C22H22N4O4S/c1-5-25-15(10-11-23-25)12-17-20(27)26-19(14-6-8-16(29-3)9-7-14)18(21(28)30-4)13(2)24-22(26)31-17/h6-12,19H,5H2,1-4H3/b17-12+
InChIKey QMGOVDDJWPAEOB-SFQUDFHCSA-N
Mol Weight 438.5 g/mol
Molecular Formula C22H22N4O4S
Exact Mass 438.136176 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2G07yx5cJ6
Name (2E)-2-[(2-ethyl-3-pyrazolyl)methylidene]-5-(4-methoxyphenyl)-7-methyl-3-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid methyl ester
Alternate Name(s) (2E)-2-[(2-ethylpyrazol-3-yl)methylene]-3-keto-5-(4-methoxyphenyl)-7-methyl-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid methyl ester Methyl (2E)-2-[(2-ethylpyrazol-3-yl)methylene]-5-(4-methoxyphenyl)-7-methyl-3-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxylate Methyl (2E)-2-[(2-ethylpyrazol-3-yl)methylidene]-5-(4-methoxyphenyl)-7-methyl-3-oxidanylidene-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate Methyl (2E)-2-[(2-ethylpyrazol-3-yl)methylidene]-5-(4-methoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
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Formula C22H22N4O4S
InChI InChI=1S/C22H22N4O4S/c1-5-25-15(10-11-23-25)12-17-20(27)26-19(14-6-8-16(29-3)9-7-14)18(21(28)30-4)13(2)24-22(26)31-17/h6-12,19H,5H2,1-4H3/b17-12+
InChIKey QMGOVDDJWPAEOB-SFQUDFHCSA-N
Molecular Weight 438.502 g/mol
SMILES CC[n]1c(\C=C/2C(=O)N3C(c4ccc(cc4)OC)C(=C(C)N=C3S2)C(=O)OC)ccn1
SPLASH splash10-05s0-8902000000-7c409dcc00f07ae04a60
Wiley ID 1445459