4-ETHOY-2-[(5-CARBOXY-8-QUINOLYL)-THIO]-PYRIMIDINE

SpectraBase Compound ID	Gx3Qi6hL6nY
InChI	InChI=1S/C16H13N3O3S/c1-2-22-13-7-9-18-16(19-13)23-12-6-5-11(15(20)21)10-4-3-8-17-14(10)12/h3-9H,2H2,1H3,(H,20,21)
InChIKey	SHEKDUGTKSDWIB-UHFFFAOYSA-N Google Search
Mol Weight	327.36 g/mol
Molecular Formula	C16H13N3O3S
Exact Mass	327.067762 g/mol

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SpectraBase Spectrum ID	PSAgr0tkng
Name	8-(4-Ethoxypyrimidin-2-yl)sulfanylquinoline-5-carboxylic acid
Alternate Name(s)	8-[(4-ethoxy-2-pyrimidinyl)thio]-5-quinolinecarboxylic acid 8-[(4-ethoxypyrimidin-2-yl)thio]quinoline-5-carboxylic acid
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C16H13N3O3S
InChI	InChI=1S/C16H13N3O3S/c1-2-22-13-7-9-18-16(19-13)23-12-6-5-11(15(20)21)10-4-3-8-17-14(10)12/h3-9H,2H2,1H3,(H,20,21)
InChIKey	SHEKDUGTKSDWIB-UHFFFAOYSA-N
Molecular Weight	327.358 g/mol
SMILES	OC(c1ccc(c2c1cccn2)Sc1nc(ccn1)OCC)=O
SPLASH	splash10-00p1-1964000000-416fd21a1d6a27581e0a
Source of Spectrum	Y-28-660-10
Wiley ID	1325421