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6-AMINO-5-[2'-(4-CHLOROPHENYLMETHYLSULFONYL)-1'-PHENYLETHYL]-2-HYDROXYPYRIMIDINE-4-ONE

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6-AMINO-5-[2'-(4-CHLOROPHENYLMETHYLSULFONYL)-1'-PHENYLETHYL]-2-HYDROXYPYRIMIDINE-4-ONE
SpectraBase Compound ID 3CdjqNSUUMu
InChI InChI=1S/C19H18ClN3O4S/c20-14-8-6-12(7-9-14)10-28(26,27)11-15(13-4-2-1-3-5-13)16-17(21)22-19(25)23-18(16)24/h1-9,15-16H,10-11H2,(H3,21,22,23,24,25)
InChIKey RRKUGBQGEGDKBX-UHFFFAOYSA-N
Mol Weight 419.88 g/mol
Molecular Formula C19H18ClN3O4S
Exact Mass 419.070655 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3BAAk0vDj2F
Name 6-AMINO-5-[2'-(4-CHLOROPHENYLMETHYLSULFONYL)-1'-PHENYLETHYL]-2-HYDROXYPYRIMIDINE-4-ONE
Compound Number 14A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H18ClN3O4S
InChI InChI=1S/C19H18ClN3O4S/c20-14-8-6-12(7-9-14)10-28(26,27)11-15(13-4-2-1-3-5-13)16-17(21)22-19(25)23-18(16)24/h1-9,15-16H,10-11H2,(H3,21,22,23,24,25)
InChIKey RRKUGBQGEGDKBX-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 419.883 g/mol
Sample ID 56027
Solvent CDCl3:DMSO-D6