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2-Morpholino-3-(4-chlorophenyl)-5,6,7,8-tetrahydrobenzothieno[2,3-d]pyrimidin-4(3H)-one
SpectraBase Compound ID F1QOYd8HYRL
InChI InChI=1S/C20H20ClN3O2S/c21-13-5-7-14(8-6-13)24-19(25)17-15-3-1-2-4-16(15)27-18(17)22-20(24)23-9-11-26-12-10-23/h5-8H,1-4,9-12H2
InChIKey HOZJGTLULCDFOK-UHFFFAOYSA-N
Mol Weight 401.91 g/mol
Molecular Formula C20H20ClN3O2S
Exact Mass 401.096476 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LabU8zNrZvP
Name 2-Morpholino-3-(4-chlorophenyl)-5,6,7,8-tetrahydrobenzothieno[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 401.096475768 u
Formula C20H20ClN3O2S
InChI InChI=1S/C20H20ClN3O2S/c21-13-5-7-14(8-6-13)24-19(25)17-15-3-1-2-4-16(15)27-18(17)22-20(24)23-9-11-26-12-10-23/h5-8H,1-4,9-12H2
InChIKey HOZJGTLULCDFOK-UHFFFAOYSA-N
Molecular Weight 401.912 g/mol
SMILES C1(=NC=2SC=3CCCCC3C2C(N1C1=CC=C(C=C1)Cl)=O)N1CCOCC1