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ALPHA-[6-(1'-N-BUTYLCARBAMOYLETHYLTHIO)-1-PHENYLPYRAZOLO-[3,4-D]-PYRIMIDIN-4-YLTHIO]-N-BUTYL-PROPANAMIDE

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ALPHA-[6-(1'-N-BUTYLCARBAMOYLETHYLTHIO)-1-PHENYLPYRAZOLO-[3,4-D]-PYRIMIDIN-4-YLTHIO]-N-BUTYL-PROPANAMIDE
SpectraBase Compound ID LToJO29COuU
InChI InChI=1S/2C25H34N6O2S2/c2*1-5-7-14-26-22(32)17(3)34-24-20-16-28-31(19-12-10-9-11-13-19)21(20)29-25(30-24)35-18(4)23(33)27-15-8-6-2/h2*9-13,16-18H,5-8,14-15H2,1-4H3,(H,26,32)(H,27,33)
InChIKey HZHDXSZPEMYNEM-UHFFFAOYSA-N
Mol Weight 1029.4 g/mol
Molecular Formula C50H68N12O4S4
Exact Mass 1028.436933 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HjSNd2PAKfq
Name ALPHA-[6-(1'-N-BUTYLCARBAMOYLETHYLTHIO)-1-PHENYLPYRAZOLO-[3,4-D]-PYRIMIDIN-4-YLTHIO]-N-BUTYL-PROPANAMIDE
Compound Number 8D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C50H68N12O4S4
InChI InChI=1S/2C25H34N6O2S2/c2*1-5-7-14-26-22(32)17(3)34-24-20-16-28-31(19-12-10-9-11-13-19)21(20)29-25(30-24)35-18(4)23(33)27-15-8-6-2/h2*9-13,16-18H,5-8,14-15H2,1-4H3,(H,26,32)(H,27,33)
InChIKey HZHDXSZPEMYNEM-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 1029.408 g/mol
Solvent DMSO-D6
Source File Reference UWVN20478