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4-Amino-8-(4-(5-bromobenzofuran-2-yl)thiazol-2-yl)-7-(phenylamino)pyrazolo-[5,1-c][1,2,4]triazine-3-carbonitrile
SpectraBase Compound ID 96WekhOzjKt
InChI InChI=1S/C23H13BrN8OS/c24-13-6-7-17-12(8-13)9-18(33-17)16-11-34-23(28-16)19-21(27-14-4-2-1-3-5-14)31-32-20(26)15(10-25)29-30-22(19)32/h1-9,11H,26H2,(H,27,31)
InChIKey DFNFWYCPLVHHRQ-UHFFFAOYSA-N
Mol Weight 529.38 g/mol
Molecular Formula C23H13BrN8OS
Exact Mass 528.011641 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4WZLuIDlWkJ
Name 4-Amino-8-(4-(5-bromobenzofuran-2-yl)thiazol-2-yl)-7-(phenylamino)pyrazolo-[5,1-c][1,2,4]triazine-3-carbonitrile
Appearance Beige crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H13BrN8OS
InChI InChI=1S/C23H13BrN8OS/c24-13-6-7-17-12(8-13)9-18(33-17)16-11-34-23(28-16)19-21(27-14-4-2-1-3-5-14)31-32-20(26)15(10-25)29-30-22(19)32/h1-9,11H,26H2,(H,27,31)
InChIKey DFNFWYCPLVHHRQ-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP1000 EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2383
Molecular Weight 529.376 g/mol
SMILES N(c1n[n]2c(N=NC(=C2N)C#N)c1-c1nc(cs1)-c1cc2c(o1)ccc(c2)Br)c1ccccc1
SPLASH splash10-0hfx-2910100000-9b2b098cec2f6af08285
Source of Spectrum Y-53-1301-37
Wiley ID 1877718