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6-(4-CHLOROBENZYL)-5-METHYL-2-[2-(MORPHOLIN-4-YL)-ETHYL]-THIOPYRIMIDIN-4(3H)-ONE
SpectraBase Compound ID 53De6e8oKrT
InChI InChI=1S/C18H22ClN3O2S/c1-13-16(12-14-2-4-15(19)5-3-14)20-18(21-17(13)23)25-11-8-22-6-9-24-10-7-22/h2-5H,6-12H2,1H3,(H,20,21,23)
InChIKey MFCYGDLJSOGQHY-UHFFFAOYSA-N
Mol Weight 379.91 g/mol
Molecular Formula C18H22ClN3O2S
Exact Mass 379.112126 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ECk4RDS3aOx
Name 6-(4-CHLOROBENZYL)-5-METHYL-2-[2-(MORPHOLIN-4-YL)-ETHYL]-THIOPYRIMIDIN-4(3H)-ONE
Compound Number 6C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H22ClN3O2S
InChI InChI=1S/C18H22ClN3O2S/c1-13-16(12-14-2-4-15(19)5-3-14)20-18(21-17(13)23)25-11-8-22-6-9-24-10-7-22/h2-5H,6-12H2,1H3,(H,20,21,23)
InChIKey MFCYGDLJSOGQHY-UHFFFAOYSA-N
Literature Reference Author M.I.ATTIA,A.A.EL-EMAM,A.A.AL-TURKISTANI,A.L.KANSOH,N.R.EL-BR OLLOSY
Literature Reference Citation MOLECULES,19,279(2014)
Literature Reference DOI 10.3390/molecules19010279
Molecular Weight 379.905 g/mol
Solvent DMSO-D6
Source File Reference UWBT14576