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6H-[1]Benzothiopyrano[3,4-e]pyrazolo[1,5-a]pyrimidine, 5-(methylthio)-
SpectraBase Compound ID 1uhmocO7XG6
InChI InChI=1S/C14H11N3S2/c1-18-14-10-8-19-11-5-3-2-4-9(11)13(10)17-12(16-14)6-7-15-17/h2-7H,8H2,1H3
InChIKey OSEGKNWWQIZAHB-UHFFFAOYSA-N
Mol Weight 285.38 g/mol
Molecular Formula C14H11N3S2
Exact Mass 285.03944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CiuJEob2v9k
Name 6H-[1]Benzothiopyrano[3,4-e]pyrazolo[1,5-a]pyrimidine, 5-(methylthio)-
CAS Registry Number 128039-59-8
Comments Less than 3 mono-isotopic peaks
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Formula C14H11N3S2
InChI InChI=1S/C14H11N3S2/c1-18-14-10-8-19-11-5-3-2-4-9(11)13(10)17-12(16-14)6-7-15-17/h2-7H,8H2,1H3
InChIKey OSEGKNWWQIZAHB-UHFFFAOYSA-N
Molecular Weight 285.383 g/mol
SMILES C12=C(C(SC)=Nc3[n]2ncc3)CSc2c1cccc2
SPLASH splash10-0159-0090000000-c760b87bcf1f4f146f6f
Source of Spectrum F-46-586-20
Synonyms 5-(methylsulfanyl)-6H-[1]benzothiopyrano[3,4-e]pyrazolo[1,5-a]pyrimidine 5-Methylthio-6H[1]benzothiopyrano[3,4-e]pyrazolo[1,5-a]pyrimidine 6H-[1]benzothiopyrano[3,4-e]pyrazolo[1,5-a]pyrimidin-5-yl methyl sulfide
Wiley ID 1288814