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ALPHA-[6-(1'-N-ETHYLCARBAMOYLETHYLTHIO)-1-PHENYLPYRAZOLO-[3,4-D]-PYRIMIDIN-4-YLTHIO]-N-ETHYL-PROPANAMIDE
SpectraBase Compound ID kEluhvd9eM
InChI InChI=1S/2C21H26N6O2S2/c2*1-5-22-18(28)13(3)30-20-16-12-24-27(15-10-8-7-9-11-15)17(16)25-21(26-20)31-14(4)19(29)23-6-2/h2*7-14H,5-6H2,1-4H3,(H,22,28)(H,23,29)
InChIKey ARXMHWXYHLUVPT-UHFFFAOYSA-N
Mol Weight 917.2 g/mol
Molecular Formula C42H52N12O4S4
Exact Mass 916.311733 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CctXMsMNwn4
Name ALPHA-[6-(1'-N-ETHYLCARBAMOYLETHYLTHIO)-1-PHENYLPYRAZOLO-[3,4-D]-PYRIMIDIN-4-YLTHIO]-N-ETHYL-PROPANAMIDE
Compound Number 8B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H52N12O4S4
InChI InChI=1S/2C21H26N6O2S2/c2*1-5-22-18(28)13(3)30-20-16-12-24-27(15-10-8-7-9-11-15)17(16)25-21(26-20)31-14(4)19(29)23-6-2/h2*7-14H,5-6H2,1-4H3,(H,22,28)(H,23,29)
InChIKey ARXMHWXYHLUVPT-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 917.193 g/mol
Solvent DMSO-D6
Source File Reference UWVN20476