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4-(2-((4-(4-[Dimethylamino]phenyl)-6-(naphthalen-2-yl)pyrimidin-2-yl)thio)acetamido)-N-(thiazol-2-yl)benzamide
SpectraBase Compound ID snXE612WHq
InChI InChI=1S/C34H28N6O2S2/c1-40(2)28-15-11-23(12-16-28)29-20-30(26-8-7-22-5-3-4-6-25(22)19-26)38-34(37-29)44-21-31(41)36-27-13-9-24(10-14-27)32(42)39-33-35-17-18-43-33/h3-20H,21H2,1-2H3,(H,36,41)(H,35,39,42)
InChIKey NAVHLXZJINXBCO-UHFFFAOYSA-N
Mol Weight 616.8 g/mol
Molecular Formula C34H28N6O2S2
Exact Mass 616.171517 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EVZruqh9T3U
Name 4-(2-((4-(4-[Dimethylamino]phenyl)-6-(naphthalen-2-yl)pyrimidin-2-yl)thio)acetamido)-N-(thiazol-2-yl)benzamide
Appearance Reddish brown crystals
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H28N6O2S2
InChI InChI=1S/C34H28N6O2S2/c1-40(2)28-15-11-23(12-16-28)29-20-30(26-8-7-22-5-3-4-6-25(22)19-26)38-34(37-29)44-21-31(41)36-27-13-9-24(10-14-27)32(42)39-33-35-17-18-43-33/h3-20H,21H2,1-2H3,(H,36,41)(H,35,39,42)
InChIKey NAVHLXZJINXBCO-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP-1000EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.4061
Molecular Weight 616.758 g/mol
SMILES N(c1nccs1)C(c1ccc(cc1)NC(=O)CSc1nc(-c2ccc(N(C)C)cc2)cc(-c2ccc3ccccc3c2)n1)=O
SPLASH splash10-0udr-1190000000-c500c299971f5a80e280
Source of Spectrum Y-57-SM37-10
Wiley ID 1860342