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5-{4-[(3-chlorobenzyl)oxy]-3-methoxybenzylidene}-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione

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5-{4-[(3-chlorobenzyl)oxy]-3-methoxybenzylidene}-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
SpectraBase Compound ID KYx1cUvivQP
InChI InChI=1S/C19H15ClN2O4S/c1-25-16-9-11(8-14-17(23)21-19(27)22-18(14)24)5-6-15(16)26-10-12-3-2-4-13(20)7-12/h2-9H,10H2,1H3,(H2,21,22,23,24,27)
InChIKey QHBYROGOYFOWLR-UHFFFAOYSA-N
Mol Weight 402.85 g/mol
Molecular Formula C19H15ClN2O4S
Exact Mass 402.044106 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HDZuIhwIpHk
Name 5-{4-[(3-Chlorobenzyl)oxy]-3-methoxybenzylidene}-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 402.044105841 u
Formula C19H15ClN2O4S
InChI InChI=1S/C19H15ClN2O4S/c1-25-16-9-11(8-14-17(23)21-19(27)22-18(14)24)5-6-15(16)26-10-12-3-2-4-13(20)7-12/h2-9H,10H2,1H3,(H2,21,22,23,24,27)
InChIKey QHBYROGOYFOWLR-UHFFFAOYSA-N
Molecular Weight 402.852 g/mol
SMILES N1C(NC(C(C1=O)=CC=1C=C(OC)C(=CC1)OCC=1C=C(Cl)C=CC1)=O)=S