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6-AMINO-5,5-BIS-(2'-PHENYLSULFONYLETHYL)-2-MERCAPTOPYRIMIDINE-4-ONE
SpectraBase Compound ID 1wDoUAmXBH9
InChI InChI=1S/C20H21N3O5S3/c21-17-20(18(24)23-19(29)22-17,11-13-30(25,26)15-7-3-1-4-8-15)12-14-31(27,28)16-9-5-2-6-10-16/h1-10H,11-14H2,(H3,21,22,23,24,29)
InChIKey ZZHDQLWCSUSQFS-UHFFFAOYSA-N
Mol Weight 479.58 g/mol
Molecular Formula C20H21N3O5S3
Exact Mass 479.064334 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B1gTBzyBgRJ
Name 6-AMINO-5,5-BIS-(2'-PHENYLSULFONYLETHYL)-2-MERCAPTOPYRIMIDINE-4-ONE
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H21N3O5S3
InChI InChI=1S/C20H21N3O5S3/c21-17-20(18(24)23-19(29)22-17,11-13-30(25,26)15-7-3-1-4-8-15)12-14-31(27,28)16-9-5-2-6-10-16/h1-10H,11-14H2,(H3,21,22,23,24,29)
InChIKey ZZHDQLWCSUSQFS-UHFFFAOYSA-N
Literature Reference Author V.PADMAVATHI,D.R.C.V.SUBBAIAH,K.MAHESH,T.R.LAKSHMI
Literature Reference Citation CHEM.PHARM.BULL.,55,1704(2007)
Literature Reference DOI 10.1248/cpb.55.1704
Molecular Weight 479.584 g/mol
Sample ID 56034
Solvent CDCl3:DMSO-D6