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BETA-(4-MERCAPTO-1-PHENYLPYRAZOLO-[3,4-D]-PYRIMIDIN-6-YLTHIO)-N-CYCLOPENTYL-PROPANAMIDE
SpectraBase Compound ID 8cjZw1QUN3w
InChI InChI=1S/C19H21N5OS2/c1-12(17(25)21-13-7-5-6-8-13)27-19-22-16-15(18(26)23-19)11-20-24(16)14-9-3-2-4-10-14/h2-4,9-13H,5-8H2,1H3,(H,21,25)(H,22,23,26)
InChIKey HVQSDNQKLQQSDA-UHFFFAOYSA-N
Mol Weight 399.53 g/mol
Molecular Formula C19H21N5OS2
Exact Mass 399.118753 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KRvUzPgDOfk
Name BETA-(4-MERCAPTO-1-PHENYLPYRAZOLO-[3,4-D]-PYRIMIDIN-6-YLTHIO)-N-CYCLOPENTYL-PROPANAMIDE
Compound Number 5E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H21N5OS2
InChI InChI=1S/C19H21N5OS2/c1-12(17(25)21-13-7-5-6-8-13)27-19-22-16-15(18(26)23-19)11-20-24(16)14-9-3-2-4-10-14/h2-4,9-13H,5-8H2,1H3,(H,21,25)(H,22,23,26)
InChIKey HVQSDNQKLQQSDA-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 399.529 g/mol
Solvent DMSO-D6
Source File Reference UWVN20465