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ALPHA-[6-(1'-N-PROPYLCARBAMOYLETHYLTHIO)-1-PHENYLPYRAZOLO-[3,4-D]-PYRIMIDIN-4-YTHIO]-N-PROPYL-PROPANAMIDE
SpectraBase Compound ID BrTjJfjRpfs
InChI InChI=1S/2C23H30N6O2S2/c2*1-5-12-24-20(30)15(3)32-22-18-14-26-29(17-10-8-7-9-11-17)19(18)27-23(28-22)33-16(4)21(31)25-13-6-2/h2*7-11,14-16H,5-6,12-13H2,1-4H3,(H,24,30)(H,25,31)
InChIKey PMKCDQMGNIPTRB-UHFFFAOYSA-N
Mol Weight 973.31 g/mol
Molecular Formula C46H60N12O4S4
Exact Mass 972.374333 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LTnKWk2kYtA
Name ALPHA-[6-(1'-N-PROPYLCARBAMOYLETHYLTHIO)-1-PHENYLPYRAZOLO-[3,4-D]-PYRIMIDIN-4-YTHIO]-N-PROPYL-PROPANAMIDE
Compound Number 8C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C46H60N12O4S4
InChI InChI=1S/2C23H30N6O2S2/c2*1-5-12-24-20(30)15(3)32-22-18-14-26-29(17-10-8-7-9-11-17)19(18)27-23(28-22)33-16(4)21(31)25-13-6-2/h2*7-11,14-16H,5-6,12-13H2,1-4H3,(H,24,30)(H,25,31)
InChIKey PMKCDQMGNIPTRB-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 973.300 g/mol
Solvent DMSO-D6
Source File Reference UWVN20477