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2-Heptylamino-5-methyl-3-phenyl-6-(1H-1,2,4-triazol-1-yl)thieno[2,3-d]pyrimidin-4(3H)-one
SpectraBase Compound ID 8FUAoUFnvin
InChI InChI=1S/C22H26N6OS/c1-3-4-5-6-10-13-24-22-26-19-18(16(2)21(30-19)27-15-23-14-25-27)20(29)28(22)17-11-8-7-9-12-17/h7-9,11-12,14-15H,3-6,10,13H2,1-2H3,(H,24,26)
InChIKey ZLAMUTZLFHIUQA-UHFFFAOYSA-N
Mol Weight 422.55 g/mol
Molecular Formula C22H26N6OS
Exact Mass 422.188881 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9Mob70KGBas
Name 2-Heptylamino-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 C22H26N6OS
InChI InChI=1S/C22H26N6OS/c1-3-4-5-6-10-13-24-22-26-19-18(16(2)21(30-19)27-15-23-14-25-27)20(29)28(22)17-11-8-7-9-12-17/h7-9,11-12,14-15H,3-6,10,13H2,1-2H3,(H,24,26)
InChIKey ZLAMUTZLFHIUQA-UHFFFAOYSA-N
Instrument Name Finnigan Trace
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0010.711
Molecular Weight 422.551 g/mol
SMILES N(CCCCCCC)C=1N(C(c2c(N1)sc(c2C)-[n]1ncnc1)=O)c1ccccc1
SPLASH splash10-00di-2359700000-d521b9969feeeffd593f
Source of Spectrum ARK-2009-116-6h
Wiley ID 1866659