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2-(BENZYLSULFANYL)-6-(3-CHLOROPHENYLAMINO)-9-ISOPROPYLPURINE

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2-(BENZYLSULFANYL)-6-(3-CHLOROPHENYLAMINO)-9-ISOPROPYLPURINE
SpectraBase Compound ID DfgJM0ra89e
InChI InChI=1S/C21H20ClN5S/c1-14(2)27-13-23-18-19(24-17-10-6-9-16(22)11-17)25-21(26-20(18)27)28-12-15-7-4-3-5-8-15/h3-11,13-14H,12H2,1-2H3,(H,24,25,26)
InChIKey FLBULLZVKHBEQT-UHFFFAOYSA-N
Mol Weight 409.94 g/mol
Molecular Formula C21H20ClN5S
Exact Mass 409.112795 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I3fUaiO17tR
Name 2-(BENZYLSULFANYL)-6-(3-CHLOROPHENYLAMINO)-9-ISOPROPYLPURINE
Compound Number 14
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H20ClN5S
InChI InChI=1S/C21H20ClN5S/c1-14(2)27-13-23-18-19(24-17-10-6-9-16(22)11-17)25-21(26-20(18)27)28-12-15-7-4-3-5-8-15/h3-11,13-14H,12H2,1-2H3,(H,24,25,26)
InChIKey FLBULLZVKHBEQT-UHFFFAOYSA-N
Literature Reference Author D.TADDEI,A.M.Z.SLAWIN,J.D.WOOLLINS
Literature Reference Citation EUR.J.ORG.CHEM.,939(2005)
Molecular Weight 409.936 g/mol
Sample ID 39088
Solvent DMSO-D6