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5-Methyl-3-phenyl-2-isopropylamino-6-(1H-1,2,4-triazol-1-yl)thieno[2,3-d]pyrimidin-4(3H)-one
SpectraBase Compound ID CTJvRaIL0ZL
InChI InChI=1S/C18H18N6OS/c1-11(2)21-18-22-15-14(12(3)17(26-15)23-10-19-9-20-23)16(25)24(18)13-7-5-4-6-8-13/h4-11H,1-3H3,(H,21,22)
InChIKey BJHPRYHOOCJRMI-UHFFFAOYSA-N
Mol Weight 366.44 g/mol
Molecular Formula C18H18N6OS
Exact Mass 366.12628 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3tQsma1VdhZ
Name 5-Methyl-3-phenyl-2-isopropylamino-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 C18H18N6OS
InChI InChI=1S/C18H18N6OS/c1-11(2)21-18-22-15-14(12(3)17(26-15)23-10-19-9-20-23)16(25)24(18)13-7-5-4-6-8-13/h4-11H,1-3H3,(H,21,22)
InChIKey BJHPRYHOOCJRMI-UHFFFAOYSA-N
Instrument Name Finnigan Trace
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0010.711
Molecular Weight 366.443 g/mol
SMILES N(C1=Nc2sc(c(C)c2C(N1c1ccccc1)=O)-[n]1ncnc1)C(C)C
SPLASH splash10-014i-0129000000-d82492959ccd9cfc9442
Source of Spectrum ARK-2009-115-6c
Wiley ID 1866654