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4-METHOXY-5-METHYL-2-[(5-CARBOXY-8-QUINOLYL)-THIO]-PYRIMIDINE
SpectraBase Compound ID L7lm1LpMBS9
InChI InChI=1S/C16H13N3O3S/c1-9-8-18-16(19-14(9)22-2)23-12-6-5-11(15(20)21)10-4-3-7-17-13(10)12/h3-8H,1-2H3,(H,20,21)
InChIKey PLVDVLZHLUORLA-UHFFFAOYSA-N
Mol Weight 327.36 g/mol
Molecular Formula C16H13N3O3S
Exact Mass 327.067762 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Kdi9K0suS6o
Name 8-(4-Methoxy-5-methyl-pyrimidin-2-yl)sulfanylquinoline-5-carboxylic acid
Alternate Name(s) 8-[(4-methoxy-5-methyl-2-pyrimidinyl)thio]-5-quinolinecarboxylic acid 8-[(4-methoxy-5-methyl-pyrimidin-2-yl)thio]quinoline-5-carboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H13N3O3S
InChI InChI=1S/C16H13N3O3S/c1-9-8-18-16(19-14(9)22-2)23-12-6-5-11(15(20)21)10-4-3-7-17-13(10)12/h3-8H,1-2H3,(H,20,21)
InChIKey PLVDVLZHLUORLA-UHFFFAOYSA-N
Molecular Weight 327.358 g/mol
SMILES OC(c1ccc(c2c1cccn2)Sc1nc(c(cn1)C)OC)=O
SPLASH splash10-004i-1559000000-5ae772c3e6adc2a6bba8
Source of Spectrum Y-28-660-9
Wiley ID 1325420