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3-[5-Amino-1-phenyl-4-oxo-pyrazolo[3,4-d]pyrimidin-6-yl]N-phenyl-2-oxopropanethiohydrazonate
SpectraBase Compound ID KC4fA7EW83O
InChI InChI=1S/C20H17N7O2S/c1-13(28)18(25-24-14-8-4-2-5-9-14)30-20-23-17-16(19(29)26(20)21)12-22-27(17)15-10-6-3-7-11-15/h2-12,24H,21H2,1H3
InChIKey QAVCODUGRCVENC-UHFFFAOYSA-N
Mol Weight 419.46 g/mol
Molecular Formula C20H17N7O2S
Exact Mass 419.116444 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FvIXGPQrGtZ
Name 3-[5-Amino-1-phenyl-4-oxo-pyrazolo[3,4-d]pyrimidin-6-yl]N-phenyl-2-oxopropanethiohydrazonate
Alternate Name(s) 5-Amino-4-oxo-1-phenyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl 2-oxo-N-phenylpropanehydrazonothioate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H17N7O2S
InChI InChI=1S/C20H17N7O2S/c1-13(28)18(25-24-14-8-4-2-5-9-14)30-20-23-17-16(19(29)26(20)21)12-22-27(17)15-10-6-3-7-11-15/h2-12,24H,21H2,1H3
InChIKey QAVCODUGRCVENC-UHFFFAOYSA-N
Literature Reference DOI 10.1002/jccs.200600123
Molecular Weight 419.463 g/mol
SMILES N(N=C(SC1=Nc2[n](ncc2C(N1N)=O)-c1ccccc1)C(=O)C)c1ccccc1
SPLASH splash10-0a4i-9222100000-a92b027526bba0b3aa54
Source of Spectrum QA-53-928-4c
Wiley ID 1796218