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6-AMINO-5-[2'-PHENYLSULFONYL-1'-(4-CHLOROPHENYL)-ETHYL]-2-MERCAPTOPYRIMIDINE-4-ONE
SpectraBase Compound ID 1aje2NaExYz
InChI InChI=1S/C18H16ClN3O3S2/c19-12-8-6-11(7-9-12)14(15-16(20)21-18(26)22-17(15)23)10-27(24,25)13-4-2-1-3-5-13/h1-9,14-15H,10H2,(H3,20,21,22,23,26)
InChIKey QLCQRHIOZWEQJI-UHFFFAOYSA-N
Mol Weight 421.92 g/mol
Molecular Formula C18H16ClN3O3S2
Exact Mass 421.032161 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IAavvAgdgMq
Name 6-AMINO-5-[2'-PHENYLSULFONYL-1'-(4-CHLOROPHENYL)-ETHYL]-2-MERCAPTOPYRIMIDINE-4-ONE
Compound Number 17B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H16ClN3O3S2
InChI InChI=1S/C18H16ClN3O3S2/c19-12-8-6-11(7-9-12)14(15-16(20)21-18(26)22-17(15)23)10-27(24,25)13-4-2-1-3-5-13/h1-9,14-15H,10H2,(H3,20,21,22,23,26)
InChIKey QLCQRHIOZWEQJI-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 421.916 g/mol
Sample ID 56036
Solvent CDCl3:DMSO-D6