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1-(3-Chloro-4-methylphenyl)-3-[(4,6-dihydroxy-5-propyl-2-pyrimidinyl)sulfanyl]-2,5-pyrrolidinedione

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1-(3-Chloro-4-methylphenyl)-3-[(4,6-dihydroxy-5-propyl-2-pyrimidinyl)sulfanyl]-2,5-pyrrolidinedione
SpectraBase Compound ID JYGLfh78KsC
InChI InChI=1S/C18H18ClN3O4S/c1-3-4-11-15(24)20-18(21-16(11)25)27-13-8-14(23)22(17(13)26)10-6-5-9(2)12(19)7-10/h5-7,13H,3-4,8H2,1-2H3,(H2,20,21,24,25)
InChIKey RJFHYABRPJLWNP-UHFFFAOYSA-N
Mol Weight 407.87 g/mol
Molecular Formula C18H18ClN3O4S
Exact Mass 407.070655 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 64g0K9zvZmK
Name 1-(3-Chloro-4-methylphenyl)-3-[(4,6-dihydroxy-5-propyl-2-pyrimidinyl)sulfanyl]-2,5-pyrrolidinedione
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 407.070654942 u
Formula C18H18ClN3O4S
InChI InChI=1S/C18H18ClN3O4S/c1-3-4-11-15(24)20-18(21-16(11)25)27-13-8-14(23)22(17(13)26)10-6-5-9(2)12(19)7-10/h5-7,13H,3-4,8H2,1-2H3,(H2,20,21,24,25)
InChIKey RJFHYABRPJLWNP-UHFFFAOYSA-N
Molecular Weight 407.872 g/mol
SMILES OC=1N=C(N=C(C1CCC)O)SC1C(N(C(C1)=O)C1=CC(Cl)=C(C=C1)C)=O