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

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6-AMINO-5-[2'-(4-CHLOROPHENYLMETHYLSULFONYL)-1'-(4-CHLOROPHENYL)-ETHYL]-2-HYDROXYPYRIMIDINE-4-ONE
SpectraBase Compound ID 4RHRnUyLw6j
InChI InChI=1S/C19H17Cl2N3O4S/c20-13-5-1-11(2-6-13)9-29(27,28)10-15(12-3-7-14(21)8-4-12)16-17(22)23-19(26)24-18(16)25/h1-8,15-16H,9-10H2,(H3,22,23,24,25,26)
InChIKey NUKQZQCLHJCKPW-UHFFFAOYSA-N
Mol Weight 454.33 g/mol
Molecular Formula C19H17Cl2N3O4S
Exact Mass 453.031683 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CDCWcffuKz7
Name 6-AMINO-5-[2'-(4-CHLOROPHENYLMETHYLSULFONYL)-1'-(4-CHLOROPHENYL)-ETHYL]-2-HYDROXYPYRIMIDINE-4-ONE
Compound Number 14B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H17Cl2N3O4S
InChI InChI=1S/C19H17Cl2N3O4S/c20-13-5-1-11(2-6-13)9-29(27,28)10-15(12-3-7-14(21)8-4-12)16-17(22)23-19(26)24-18(16)25/h1-8,15-16H,9-10H2,(H3,22,23,24,25,26)
InChIKey NUKQZQCLHJCKPW-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 454.328 g/mol
Sample ID 56028
Solvent CDCl3:DMSO-D6