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4-Chloro-1-(4-methoxyphenyl)-3-methylsulfanyl-pyrazolo[3,4-d]pyrimidine

View entire compound with spectra: 1 MS (GC)

4-Chloro-1-(4-methoxyphenyl)-3-methylsulfanyl-pyrazolo[3,4-d]pyrimidine
SpectraBase Compound ID HYSUqb96bYt
InChI InChI=1S/C13H11ClN4OS/c1-19-9-5-3-8(4-6-9)18-12-10(13(17-18)20-2)11(14)15-7-16-12/h3-7H,1-2H3
InChIKey RWIOMBOORVRQCO-UHFFFAOYSA-N
Mol Weight 306.77 g/mol
Molecular Formula C13H11ClN4OS
Exact Mass 306.03421 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7jL4q2DtPwc
Name 4-Chloro-1-(4-methoxyphenyl)-3-methylsulfanyl-pyrazolo[3,4-d]pyrimidine
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H11ClN4OS
InChI InChI=1S/C13H11ClN4OS/c1-19-9-5-3-8(4-6-9)18-12-10(13(17-18)20-2)11(14)15-7-16-12/h3-7H,1-2H3
InChIKey RWIOMBOORVRQCO-UHFFFAOYSA-N
Molecular Weight 306.771 g/mol
SMILES c1(n[n](c2c1c(ncn2)Cl)-c1ccc(cc1)OC)SC
SPLASH splash10-0a4i-2009000000-992e2739e9a619df9757
Source of Spectrum EMC-57-326-4b
Synonyms 4-Chloro-1-(4-methoxyphenyl)-3-(methylthio)-1H-pyrazolo[3,4-d]pyrimidine 4-Chloro-1-(4-methoxyphenyl)-3-methylsulfanylpyrazolo[3,4-d]pyrimidine 4-Chloranyl-1-(4-methoxyphenyl)-3-methylsulfanyl-pyrazolo[3,4-d]pyrimidine
Wiley ID 1734761