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4,6(1H,5H)-pyrimidinedione, dihydro-5-[[4-(methylphenylamino)phenyl]methylene]-2-thioxo-
SpectraBase Compound ID BQm2rkML6m7
InChI InChI=1S/C18H15N3O2S/c1-21(13-5-3-2-4-6-13)14-9-7-12(8-10-14)11-15-16(22)19-18(24)20-17(15)23/h2-11H,1H3,(H2,19,20,22,23,24)
InChIKey LZFVTOZVALCDBB-UHFFFAOYSA-N
Mol Weight 337.4 g/mol
Molecular Formula C18H15N3O2S
Exact Mass 337.088498 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LE0zJVJ8oQ1
Name 4,6(1H,5H)-Pyrimidinedione, dihydro-5-[[4-(methylphenylamino)phenyl]methylene]-2-thioxo-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 337.088497907 u
Formula C18H15N3O2S
InChI InChI=1S/C18H15N3O2S/c1-21(13-5-3-2-4-6-13)14-9-7-12(8-10-14)11-15-16(22)19-18(24)20-17(15)23/h2-11H,1H3,(H2,19,20,22,23,24)
InChIKey LZFVTOZVALCDBB-UHFFFAOYSA-N
Molecular Weight 337.397 g/mol
SMILES N1C(NC(C(C1=O)=CC1=CC=C(N(C=2C=CC=CC2)C)C=C1)=O)=S