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2-Butylamino-5-methyl-3-(3-methylphenyl)-6-(1H-1,2,4-triazol-1-yl)thieno[2,3-d]pyrimidin-4(3H)-one
SpectraBase Compound ID HzUjPGjEHGf
InChI InChI=1S/C20H22N6OS/c1-4-5-9-22-20-24-17-16(14(3)19(28-17)25-12-21-11-23-25)18(27)26(20)15-8-6-7-13(2)10-15/h6-8,10-12H,4-5,9H2,1-3H3,(H,22,24)
InChIKey FZFXCWHTPDVRHX-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 3zZPpECFUkI
Name 2-Butylamino-5-methyl-3-(3-methylphenyl)-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/c1-4-5-9-22-20-24-17-16(14(3)19(28-17)25-12-21-11-23-25)18(27)26(20)15-8-6-7-13(2)10-15/h6-8,10-12H,4-5,9H2,1-3H3,(H,22,24)
InChIKey FZFXCWHTPDVRHX-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(CCCC)C=1N(C(c2c(N1)sc(c2C)-[n]1ncnc1)=O)c1cc(ccc1)C
SPLASH splash10-000x-6529000000-da7539e605e6f9067153
Source of Spectrum ARK-2009-117-6n
Wiley ID 1866665