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[7-[chloranyl-bis(fluoranyl)methyl]-5-thiophen-2-yl-pyrazolo[1,5-a]pyrimidin-2-yl]-thiomorpholin-4-yl-methanone
SpectraBase Compound ID AEzSyOUxAWS
InChI InChI=1S/C16H13ClF2N4OS2/c17-16(18,19)13-8-10(12-2-1-5-26-12)20-14-9-11(21-23(13)14)15(24)22-3-6-25-7-4-22/h1-2,5,8-9H,3-4,6-7H2
InChIKey KGEPFCLOWSDBLJ-UHFFFAOYSA-N
Mol Weight 414.88 g/mol
Molecular Formula C16H13ClF2N4OS2
Exact Mass 414.018737 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ld5GVq7VhaE
Name [7-[chloranyl-bis(fluoranyl)methyl]-5-thiophen-2-yl-pyrazolo[1,5-a]pyrimidin-2-yl]-thiomorpholin-4-yl-methanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H13ClF2N4OS2
InChI InChI=1S/C16H13ClF2N4OS2/c17-16(18,19)13-8-10(12-2-1-5-26-12)20-14-9-11(21-23(13)14)15(24)22-3-6-25-7-4-22/h1-2,5,8-9H,3-4,6-7H2
InChIKey KGEPFCLOWSDBLJ-UHFFFAOYSA-N
Molecular Weight 414.877 g/mol
SMILES C1CN(C(c2n[n]3C(=CC(=Nc3c2)c2sccc2)C(Cl)(F)F)=O)CCS1
SPLASH splash10-03di-9458200000-584af1946628174877fd
Synonyms [7-[chloro(difluoro)methyl]-5-(2-thienyl)pyrazolo[1,5-a]pyrimidin-2-yl]-thiomorpholino-methanone [7-[chloro(difluoro)methyl]-5-thiophen-2-yl-2-pyrazolo[1,5-a]pyrimidinyl]-thiomorpholin-4-ylmethanone [7-[chloro(difluoro)methyl]-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-2-yl]-thiomorpholin-4-ylmethanone
Wiley ID 1453595