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ALPHA-(4-MERCAPTO-1-PHENYLPYRAZOLO-[3,4-D]-PYRIMIDIN-6-YLTHIO)-N-BUTYL-PROPANAMIDE
SpectraBase Compound ID L9YYTKMC6vR
InChI InChI=1S/C18H21N5OS2/c1-3-4-10-19-16(24)12(2)26-18-21-15-14(17(25)22-18)11-20-23(15)13-8-6-5-7-9-13/h5-9,11-12H,3-4,10H2,1-2H3,(H,19,24)(H,21,22,25)
InChIKey RGAMIUQXJPHGNN-UHFFFAOYSA-N
Mol Weight 387.52 g/mol
Molecular Formula C18H21N5OS2
Exact Mass 387.118753 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3CagxYdYmtc
Name ALPHA-(4-MERCAPTO-1-PHENYLPYRAZOLO-[3,4-D]-PYRIMIDIN-6-YLTHIO)-N-BUTYL-PROPANAMIDE
Compound Number 5D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H21N5OS2
InChI InChI=1S/C18H21N5OS2/c1-3-4-10-19-16(24)12(2)26-18-21-15-14(17(25)22-18)11-20-23(15)13-8-6-5-7-9-13/h5-9,11-12H,3-4,10H2,1-2H3,(H,19,24)(H,21,22,25)
InChIKey RGAMIUQXJPHGNN-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 387.518 g/mol
Solvent DMSO-D6
Source File Reference UWVN20464