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5-Methyl-2-pentylamino-3-phenyl-6-(1H-1,2,4-triazol-1-yl)thieno[2,3-d]pyrimidin-4(3H)-one
SpectraBase Compound ID LYJpf27lF4h
InChI InChI=1S/C20H22N6OS/c1-3-4-8-11-22-20-24-17-16(14(2)19(28-17)25-13-21-12-23-25)18(27)26(20)15-9-6-5-7-10-15/h5-7,9-10,12-13H,3-4,8,11H2,1-2H3,(H,22,24)
InChIKey QGWGBESMNNBOCC-UHFFFAOYSA-N
Mol Weight 394.5 g/mol
Molecular Formula C20H22N6OS
Exact Mass 394.157581 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 29mTKXucyJc
Name 5-Methyl-2-pentylamino-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 C20H22N6OS
InChI InChI=1S/C20H22N6OS/c1-3-4-8-11-22-20-24-17-16(14(2)19(28-17)25-13-21-12-23-25)18(27)26(20)15-9-6-5-7-10-15/h5-7,9-10,12-13H,3-4,8,11H2,1-2H3,(H,22,24)
InChIKey QGWGBESMNNBOCC-UHFFFAOYSA-N
Instrument Name Finnigan Trace
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0010.711
Molecular Weight 394.497 g/mol
SMILES N(C1=Nc2sc(c(C)c2C(N1c1ccccc1)=O)-[n]1ncnc1)CCCCC
SPLASH splash10-0006-0219000000-2b6e7a79cb594ab360bd
Source of Spectrum ARK-2009-116-6f
Wiley ID 1866657