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2-(ethylsulfanyl)-3-(4-methylphenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
SpectraBase Compound ID dJrYLzdENj
InChI InChI=1S/C19H20N2OS2/c1-3-23-19-20-17-16(14-6-4-5-7-15(14)24-17)18(22)21(19)13-10-8-12(2)9-11-13/h8-11H,3-7H2,1-2H3
InChIKey JUYFEJAHQXTQGS-UHFFFAOYSA-N
Mol Weight 356.5 g/mol
Molecular Formula C19H20N2OS2
Exact Mass 356.101706 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FZPQ9sxeWl7
Name 2-(Ethylsulfanyl)-3-(4-methylphenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-D]pyrimidin-4(3H)-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 356.101705619 u
Formula C19H20N2OS2
InChI InChI=1S/C19H20N2OS2/c1-3-23-19-20-17-16(14-6-4-5-7-15(14)24-17)18(22)21(19)13-10-8-12(2)9-11-13/h8-11H,3-7H2,1-2H3
InChIKey JUYFEJAHQXTQGS-UHFFFAOYSA-N
Molecular Weight 356.502 g/mol
SMILES C12=C(N=C(N(C2=O)C2=CC=C(C=C2)C)SCC)SC2=C1CCCC2