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4-(2-((4-(4-[Dimethylamino]phenyl)-6-(naphthalen-2-yl)pyrimidin-2-yl)thio)acetamido)-N-(pyridin-4-yl)benzamide
SpectraBase Compound ID KRhByC1Xhlu
InChI InChI=1S/C36H30N6O2S/c1-42(2)31-15-11-25(12-16-31)32-22-33(28-8-7-24-5-3-4-6-27(24)21-28)41-36(40-32)45-23-34(43)38-29-13-9-26(10-14-29)35(44)39-30-17-19-37-20-18-30/h3-22H,23H2,1-2H3,(H,38,43)(H,37,39,44)
InChIKey CPBGCZZLAQTPDC-UHFFFAOYSA-N
Mol Weight 610.7 g/mol
Molecular Formula C36H30N6O2S
Exact Mass 610.215095 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GpOoBvUA4CF
Name 4-(2-((4-(4-[Dimethylamino]phenyl)-6-(naphthalen-2-yl)pyrimidin-2-yl)thio)acetamido)-N-(pyridin-4-yl)benzamide
Appearance Red crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H30N6O2S
InChI InChI=1S/C36H30N6O2S/c1-42(2)31-15-11-25(12-16-31)32-22-33(28-8-7-24-5-3-4-6-27(24)21-28)41-36(40-32)45-23-34(43)38-29-13-9-26(10-14-29)35(44)39-30-17-19-37-20-18-30/h3-22H,23H2,1-2H3,(H,38,43)(H,37,39,44)
InChIKey CPBGCZZLAQTPDC-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP-1000EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.4061
Molecular Weight 610.736 g/mol
SMILES N(c1ccncc1)C(c1ccc(cc1)NC(=O)CSc1nc(-c2ccc(N(C)C)cc2)cc(-c2ccc3ccccc3c2)n1)=O
SPLASH splash10-0006-0009000000-11273c48b6a192ae19be
Source of Spectrum Y-57-3424-13
Wiley ID 1860338