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2-(ethylsulfanyl)-3-(2-phenylethyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
SpectraBase Compound ID KfnZeQLbmXi
InChI InChI=1S/C20H22N2OS2/c1-2-24-20-21-18-17(15-10-6-7-11-16(15)25-18)19(23)22(20)13-12-14-8-4-3-5-9-14/h3-5,8-9H,2,6-7,10-13H2,1H3
InChIKey OSHXKEOHDFTEGS-UHFFFAOYSA-N
Mol Weight 370.53 g/mol
Molecular Formula C20H22N2OS2
Exact Mass 370.117356 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3IXSkmw6EBi
Name 2-(Ethylsulfanyl)-3-(2-phenylethyl)-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 370.117355683 u
Formula C20H22N2OS2
InChI InChI=1S/C20H22N2OS2/c1-2-24-20-21-18-17(15-10-6-7-11-16(15)25-18)19(23)22(20)13-12-14-8-4-3-5-9-14/h3-5,8-9H,2,6-7,10-13H2,1H3
InChIKey OSHXKEOHDFTEGS-UHFFFAOYSA-N
Molecular Weight 370.529 g/mol
SMILES C12=C(N=C(N(C2=O)CCC=2C=CC=CC2)SCC)SC2=C1CCCC2