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2-Cyclohexylamino-5-methyl-3-phenyl-6-(1H-1,2,4-triazol-1-yl)thieno[2,3-d]pyrimidin-4(3H)-one
SpectraBase Compound ID GbeRmlDicuR
InChI InChI=1S/C21H22N6OS/c1-14-17-18(29-20(14)26-13-22-12-23-26)25-21(24-15-8-4-2-5-9-15)27(19(17)28)16-10-6-3-7-11-16/h3,6-7,10-13,15H,2,4-5,8-9H2,1H3,(H,24,25)
InChIKey PIVQQMYWBBETRF-UHFFFAOYSA-N
Mol Weight 406.51 g/mol
Molecular Formula C21H22N6OS
Exact Mass 406.157581 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HNfkKDxOLYr
Name 2-Cyclohexylamino-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 C21H22N6OS
InChI InChI=1S/C21H22N6OS/c1-14-17-18(29-20(14)26-13-22-12-23-26)25-21(24-15-8-4-2-5-9-15)27(19(17)28)16-10-6-3-7-11-16/h3,6-7,10-13,15H,2,4-5,8-9H2,1H3,(H,24,25)
InChIKey PIVQQMYWBBETRF-UHFFFAOYSA-N
Instrument Name Finnigan Trace
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0010.711
Molecular Weight 406.508 g/mol
SMILES N(C1CCCCC1)C=1N(C(c2c(N1)sc(c2C)-[n]1ncnc1)=O)c1ccccc1
SPLASH splash10-0avi-0279700000-814674ee0099129af77a
Source of Spectrum ARK-2009-116-6i
Wiley ID 1866660