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2-Hexylamino-5-methyl-3-phenyl-6-(1H-1,2,4-triazol-1-yl)thieno[2,3-d]pyrimidin-4(3H)-one
SpectraBase Compound ID HE5MXp8xP6o
InChI InChI=1S/C21H24N6OS/c1-3-4-5-9-12-23-21-25-18-17(15(2)20(29-18)26-14-22-13-24-26)19(28)27(21)16-10-7-6-8-11-16/h6-8,10-11,13-14H,3-5,9,12H2,1-2H3,(H,23,25)
InChIKey JGZAUDIZRDWNDB-UHFFFAOYSA-N
Mol Weight 408.52 g/mol
Molecular Formula C21H24N6OS
Exact Mass 408.173231 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Kky5Au5vFDl
Name 2-Hexylamino-5-methyl-3-phenyl-6-(1H-1,2,4-triazol-1-yl)thieno[2,3-d]pyrimidin-4(3H)-one
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H24N6OS
InChI InChI=1S/C21H24N6OS/c1-3-4-5-9-12-23-21-25-18-17(15(2)20(29-18)26-14-22-13-24-26)19(28)27(21)16-10-7-6-8-11-16/h6-8,10-11,13-14H,3-5,9,12H2,1-2H3,(H,23,25)
InChIKey JGZAUDIZRDWNDB-UHFFFAOYSA-N
Instrument Name Finnigan Trace
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0010.711
Molecular Weight 408.524 g/mol
SMILES N(CCCCCC)C=1N(C(c2c(N1)sc(c2C)-[n]1ncnc1)=O)c1ccccc1
SPLASH splash10-0a4i-1244900000-09f2aca0f1fc370b5b0a
Source of Spectrum ARK-2009-116-6g
Wiley ID 1866658