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5-[[3-(4-CHLOROPHENYL)-4-OXO-1,3-THIAZOLIDIN-2-YLIDENE]-AMINO]-6-METHYL-1-PHENYL-1,5-DIHYDRO-4H-PYRAZOLO-[3,4-D]-PYRIMIDIN-4-ONE;ENOL-FORM

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5-[[3-(4-CHLOROPHENYL)-4-OXO-1,3-THIAZOLIDIN-2-YLIDENE]-AMINO]-6-METHYL-1-PHENYL-1,5-DIHYDRO-4H-PYRAZOLO-[3,4-D]-PYRIMIDIN-4-ONE;ENOL-FORM
SpectraBase Compound ID HSe3qqnvjTH
InChI InChI=1S/C21H15ClN6O2S/c1-13-24-19-17(11-23-28(19)16-5-3-2-4-6-16)20(30)27(13)25-21-26(18(29)12-31-21)15-9-7-14(22)8-10-15/h2-12,29H,1H3/b25-21-
InChIKey MOBSMBBAPCJEBG-DAFNUICNSA-N
Mol Weight 450.9 g/mol
Molecular Formula C21H15ClN6O2S
Exact Mass 450.066573 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 87ATTS0BsJJ
Name 5-[[3-(4-CHLOROPHENYL)-4-OXO-1,3-THIAZOLIDIN-2-YLIDENE]-AMINO]-6-METHYL-1-PHENYL-1,5-DIHYDRO-4H-PYRAZOLO-[3,4-D]-PYRIMIDIN-4-ONE;ENOL-FORM
Compound Number 10B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H15ClN6O2S
InChI InChI=1S/C21H15ClN6O2S/c1-13-24-19-17(11-23-28(19)16-5-3-2-4-6-16)20(30)27(13)25-21-26(18(29)12-31-21)15-9-7-14(22)8-10-15/h2-12,29H,1H3/b25-21-
InChIKey MOBSMBBAPCJEBG-DAFNUICNSA-N
Literature Reference Author A.A.EL-TOMBARY
Literature Reference Citation SCI.PHARM.,81,393(2013)
Literature Reference DOI 10.3797/scipharm.1211-21
Molecular Weight 450.902 g/mol
Sample ID 73578
Solvent DMSO-D6