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5-Chloroacetylamino-3-methyl-1-phenyl-1H-thieno[3,2-e]pyrazolo[3,4-b]pyrazine-6-carbonitrile
SpectraBase Compound ID ByWB7uBiL1p
InChI InChI=1S/C17H11ClN6OS/c1-9-13-16(24(23-9)10-5-3-2-4-6-10)22-17-15(21-13)14(11(8-19)26-17)20-12(25)7-18/h2-6H,7H2,1H3,(H,20,25)
InChIKey BRDPXBKXDPWDDT-UHFFFAOYSA-N
Mol Weight 382.83 g/mol
Molecular Formula C17H11ClN6OS
Exact Mass 382.040358 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6vNlTQ3wmvc
Name 5-Chloroacetylamino-3-methyl-1-phenyl-1H-thieno[3,2-e]pyrazolo[3,4-b]pyrazine-6-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H11ClN6OS
InChI InChI=1S/C17H11ClN6OS/c1-9-13-16(24(23-9)10-5-3-2-4-6-10)22-17-15(21-13)14(11(8-19)26-17)20-12(25)7-18/h2-6H,7H2,1H3,(H,20,25)
InChIKey BRDPXBKXDPWDDT-UHFFFAOYSA-N
Literature Reference DOI 10.1002/jccs.201800050
Molecular Weight 382.829 g/mol
SMILES N(c1c(sc2nc3[n](nc(C)c3nc12)-c1ccccc1)C#N)C(CCl)=O
SPLASH splash10-0a4i-4319000000-e57aae75f7451d0abb82
Source of Spectrum QA-65-SM22-16
Synonyms 2-Chloro-N-(6-cyano-3-methyl-1-phenyl-1H-pyrazolo[3,4-b]thieno[3,2-e]pyrazin-5-yl)acetamide
Wiley ID 1813767