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N-(2-CHLORO-4-HYDROXY-6-METHYLPHENYL)-2-[[6-[4-(2-HYDROXYETHYL)-1-PIPERAZINYL]-2-METHYL-4-PYRIMIDINYL]-AMINO]-5-THIAZOLECARBOXAMIDE

View entire compound with spectra: 3 NMR

N-(2-CHLORO-4-HYDROXY-6-METHYLPHENYL)-2-[[6-[4-(2-HYDROXYETHYL)-1-PIPERAZINYL]-2-METHYL-4-PYRIMIDINYL]-AMINO]-5-THIAZOLECARBOXAMIDE
SpectraBase Compound ID wCVciDR4Ot
InChI InChI=1S/C22H26ClN7O3S/c1-13-9-15(32)10-16(23)20(13)28-21(33)17-12-24-22(34-17)27-18-11-19(26-14(2)25-18)30-5-3-29(4-6-30)7-8-31/h9-12,31-32H,3-8H2,1-2H3,(H,28,33)(H,24,25,26,27)
InChIKey YYTXGSVGHHVHNZ-UHFFFAOYSA-N
Mol Weight 504.01 g/mol
Molecular Formula C22H26ClN7O3S
Exact Mass 503.150637 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FK6ySAPKn5g
Name N-(2-CHLORO-4-HYDROXY-6-METHYLPHENYL)-2-[[6-[4-(2-HYDROXYETHYL)-1-PIPERAZINYL]-2-METHYL-4-PYRIMIDINYL]-AMINO]-5-THIAZOLECARBOXAMIDE
Compound Number M20
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H26ClN7O3S
InChI InChI=1S/C22H26ClN7O3S/c1-13-9-15(32)10-16(23)20(13)28-21(33)17-12-24-22(34-17)27-18-11-19(26-14(2)25-18)30-5-3-29(4-6-30)7-8-31/h9-12,31-32H,3-8H2,1-2H3,(H,28,33)(H,24,25,26,27)
InChIKey YYTXGSVGHHVHNZ-UHFFFAOYSA-N
Literature Reference Author L.J.CHISTOPHER,D.CUI,W.LI,A.BARROS,V.K.ARORA,H.ZHANG,L.WANG, D.ZHANG,J.A.MANNING,
Literature Reference Citation DRUG.MET.DISP.,36,1341(2008)
Literature Reference DOI 10.1124/dmd.107.018234
Molecular Weight 504.007 g/mol
Source File Reference UWLU74114