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6-(3,4-DIMETHOXYBENZYL)-5-ETHYL-2-[2-(PYRROLIDIN-1-YL)-ETHYL]-THIOPYRIMIDIN-4(3H)-ONE
SpectraBase Compound ID 28iEF8wYgbZ
InChI InChI=1S/C21H29N3O3S/c1-4-16-17(13-15-7-8-18(26-2)19(14-15)27-3)22-21(23-20(16)25)28-12-11-24-9-5-6-10-24/h7-8,14H,4-6,9-13H2,1-3H3,(H,22,23,25)
InChIKey XFHNSUVDPFXZQI-UHFFFAOYSA-N
Mol Weight 403.54 g/mol
Molecular Formula C21H29N3O3S
Exact Mass 403.192963 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6mv3J2325Sg
Name 6-(3,4-DIMETHOXYBENZYL)-5-ETHYL-2-[2-(PYRROLIDIN-1-YL)-ETHYL]-THIOPYRIMIDIN-4(3H)-ONE
Compound Number 5C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H29N3O3S
InChI InChI=1S/C21H29N3O3S/c1-4-16-17(13-15-7-8-18(26-2)19(14-15)27-3)22-21(23-20(16)25)28-12-11-24-9-5-6-10-24/h7-8,14H,4-6,9-13H2,1-3H3,(H,22,23,25)
InChIKey XFHNSUVDPFXZQI-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 403.540 g/mol
Solvent DMSO-D6
Source File Reference UWBT14574