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3-Oxo-2-((4-oxo-5,7-di-p-tolyl-3,4-dihydropyrido[2,3-d]pyrimidin-2-yl)thio)-N-phenyl-butanamide
SpectraBase Compound ID 9oQvbDRc79B
InChI InChI=1S/C31H26N4O3S/c1-18-9-13-21(14-10-18)24-17-25(22-15-11-19(2)12-16-22)33-28-26(24)29(37)35-31(34-28)39-27(20(3)36)30(38)32-23-7-5-4-6-8-23/h4-17,27H,1-3H3,(H,32,38)(H,33,34,35,37)
InChIKey IIERKHWZHWIREB-UHFFFAOYSA-N
Mol Weight 534.63 g/mol
Molecular Formula C31H26N4O3S
Exact Mass 534.172562 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2VtAxCezvU
Name 3-Oxo-2-((4-oxo-5,7-di-p-tolyl-3,4-dihydropyrido[2,3-d]pyrimidin-2-yl)thio)-N-phenyl-butanamide
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H26N4O3S
InChI InChI=1S/C31H26N4O3S/c1-18-9-13-21(14-10-18)24-17-25(22-15-11-19(2)12-16-22)33-28-26(24)29(37)35-31(34-28)39-27(20(3)36)30(38)32-23-7-5-4-6-8-23/h4-17,27H,1-3H3,(H,32,38)(H,33,34,35,37)
InChIKey IIERKHWZHWIREB-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP 1000 EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2699
Molecular Weight 534.634 g/mol
SMILES N1C(c2c(N=C1SC(C(Nc1ccccc1)=O)C(C)=O)nc(cc2-c1ccc(cc1)C)-c1ccc(cc1)C)=O
SPLASH splash10-0zi3-7904410000-073305cd11bed65f7d09
Source of Spectrum Y-54-1250-19c
Wiley ID 1878133