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3-[5-amino-4-oxo-1-phenyl-pyrazolo[3,4-d]pyrimidin-6-yl]thio-2,4-pentanedione
SpectraBase Compound ID Bq4djdNNUOg
InChI InChI=1S/C16H15N5O3S/c1-9(22)13(10(2)23)25-16-19-14-12(15(24)20(16)17)8-18-21(14)11-6-4-3-5-7-11/h3-8,13H,17H2,1-2H3
InChIKey JMKFBVYHWOPWJQ-UHFFFAOYSA-N
Mol Weight 357.39 g/mol
Molecular Formula C16H15N5O3S
Exact Mass 357.089561 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Aa9RX1dM0t4
Name 3-[5-amino-4-oxo-1-phenyl-pyrazolo[3,4-d]pyrimidin-6-yl]thio-2,4-pentanedione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H15N5O3S
InChI InChI=1S/C16H15N5O3S/c1-9(22)13(10(2)23)25-16-19-14-12(15(24)20(16)17)8-18-21(14)11-6-4-3-5-7-11/h3-8,13H,17H2,1-2H3
InChIKey JMKFBVYHWOPWJQ-UHFFFAOYSA-N
Literature Reference DOI 10.1002/jccs.200600123
Molecular Weight 357.388 g/mol
SMILES NN1C(c2c(N=C1SC(C(C)=O)C(C)=O)[n](nc2)-c1ccccc1)=O
SPLASH splash10-057i-8069000000-7dafe7552c6e672e6723
Source of Spectrum QA-53-928-8
Synonyms 3-((5-amino-4-oxo-1-phenyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)thio)pentane-2,4-dione
Wiley ID 1796235