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ALPHA-(4-MERCAPTO-1-PHENYLPYRAZOLO-[3,4-D]-PYRIMIDIN-6-YLTHIO)-N-ETHYL-PROPANAMIDE
SpectraBase Compound ID 9qTZuMQxdcr
InChI InChI=1S/C16H17N5OS2/c1-3-17-14(22)10(2)24-16-19-13-12(15(23)20-16)9-18-21(13)11-7-5-4-6-8-11/h4-10H,3H2,1-2H3,(H,17,22)(H,19,20,23)
InChIKey VSWPIUWGUWHVOM-UHFFFAOYSA-N
Mol Weight 359.47 g/mol
Molecular Formula C16H17N5OS2
Exact Mass 359.087453 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3Mu9eiv4ZPE
Name ALPHA-(4-MERCAPTO-1-PHENYLPYRAZOLO-[3,4-D]-PYRIMIDIN-6-YLTHIO)-N-ETHYL-PROPANAMIDE
Compound Number 5B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H17N5OS2
InChI InChI=1S/C16H17N5OS2/c1-3-17-14(22)10(2)24-16-19-13-12(15(23)20-16)9-18-21(13)11-7-5-4-6-8-11/h4-10H,3H2,1-2H3,(H,17,22)(H,19,20,23)
InChIKey VSWPIUWGUWHVOM-UHFFFAOYSA-N
Literature Reference Author M.CHEBIB,D.MCKEVENEY,R.J.QUINN
Literature Reference Citation BIOORG.MED.CHEM.,8,2581(2000)
Literature Reference DOI 10.1016/S0968-0896(00)00190-5
Molecular Weight 359.464 g/mol
Solvent DMSO-D6
Source File Reference UWVN20462