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4-Chloro-3-phenyl-6-(methylthio)-1H-pyrazolo[3,4-d]pyrimidine
SpectraBase Compound ID 8yQmUDQvXwM
InChI InChI=1S/C12H9ClN4S/c1-18-12-14-10(13)8-9(16-17-11(8)15-12)7-5-3-2-4-6-7/h2-6H,1H3,(H,14,15,16,17)
InChIKey ZJASZQVURHJHKC-UHFFFAOYSA-N
Mol Weight 276.74 g/mol
Molecular Formula C12H9ClN4S
Exact Mass 276.023645 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LbA0yf4x6DO
Name 4-Chloro-3-phenyl-6-(methylthio)-1H-pyrazolo[3,4-d]pyrimidine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H9ClN4S
InChI InChI=1S/C12H9ClN4S/c1-18-12-14-10(13)8-9(16-17-11(8)15-12)7-5-3-2-4-6-7/h2-6H,1H3,(H,14,15,16,17)
InChIKey ZJASZQVURHJHKC-UHFFFAOYSA-N
Molecular Weight 276.745 g/mol
SMILES [nH]1c2c(c(n1)-c1ccccc1)c(nc(n2)SC)Cl
SPLASH splash10-004i-0290000000-71e55ab4ca7ac8166cd9
Source of Spectrum QE-15-1476-19c
Synonyms 4-Chloro-6-methylsulfanyl-3-phenyl-2H-pyrazolo[3,4-d]pyrimidine 4-Chloranyl-6-methylsulfanyl-3-phenyl-2H-pyrazolo[3,4-d]pyrimidine
Wiley ID 1692708