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2-({4-[4-Oxo-2-(2-thienyl)-1,4-dihydro-3(2H)-quinazolinyl]benzoyl}amino)acetic acid
SpectraBase Compound ID LcmpR2RJgDv
InChI InChI=1S/C21H17N3O4S/c25-18(26)12-22-20(27)13-7-9-14(10-8-13)24-19(17-6-3-11-29-17)23-16-5-2-1-4-15(16)21(24)28/h1-11,19,23H,12H2,(H,22,27)(H,25,26)
InChIKey BZGFGWCWMVUJEY-UHFFFAOYSA-N
Mol Weight 407.44 g/mol
Molecular Formula C21H17N3O4S
Exact Mass 407.093977 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8vmZaBMQYMX
Name 2-({4-[4-Oxo-2-(2-thienyl)-1,4-dihydro-3(2H)-quinazolinyl]benzoyl}amino)acetic acid
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Formula C21H17N3O4S
InChI InChI=1S/C21H17N3O4S/c25-18(26)12-22-20(27)13-7-9-14(10-8-13)24-19(17-6-3-11-29-17)23-16-5-2-1-4-15(16)21(24)28/h1-11,19,23H,12H2,(H,22,27)(H,25,26)
InChIKey BZGFGWCWMVUJEY-UHFFFAOYSA-N
Literature Reference DOI 10.1007/s10593-015-1705-6
Molecular Weight 407.444 g/mol
SMILES N(CC(=O)O)C(c1ccc(N2C(Nc3ccccc3C2=O)c2sccc2)cc1)=O
SPLASH splash10-00dl-6901000000-5d5fb2cb58fd1c222521
Source of Spectrum HC-51-343-4d
Synonyms (4-(4-oxo-2-(thiophen-2-yl)-1,4-dihydroquinazolin-3(2H)-yl)benzoyl)glycine
Wiley ID 1806418