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

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2-(BENZYLSULFONYL)-6-(3-CHLOROPHENYLAMINO)-9-ISOPROPYLPURINE
SpectraBase Compound ID LnMAl1RsKgk
InChI InChI=1S/C21H20ClN5O2S/c1-14(2)27-13-23-18-19(24-17-10-6-9-16(22)11-17)25-21(26-20(18)27)30(28,29)12-15-7-4-3-5-8-15/h3-11,13-14H,12H2,1-2H3,(H,24,25,26)
InChIKey SAOVICGFNOQOBK-UHFFFAOYSA-N
Mol Weight 441.94 g/mol
Molecular Formula C21H20ClN5O2S
Exact Mass 441.102624 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Axpiw3kxgxH
Name 2-(BENZYLSULFONYL)-6-(3-CHLOROPHENYLAMINO)-9-ISOPROPYLPURINE
Compound Number 15
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H20ClN5O2S
InChI InChI=1S/C21H20ClN5O2S/c1-14(2)27-13-23-18-19(24-17-10-6-9-16(22)11-17)25-21(26-20(18)27)30(28,29)12-15-7-4-3-5-8-15/h3-11,13-14H,12H2,1-2H3,(H,24,25,26)
InChIKey SAOVICGFNOQOBK-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 441.935 g/mol
Sample ID 39089
Solvent DMSO-D6