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acetamide, 2-[(3,4,5,6,7,8-hexahydro-4-oxo-3-phenylbenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio]-N-[3-(4-morpholinyl)propyl]-

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acetamide, 2-[(3,4,5,6,7,8-hexahydro-4-oxo-3-phenylbenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio]-N-[3-(4-morpholinyl)propyl]-
SpectraBase Compound ID DHVThjcIUxI
InChI InChI=1S/C25H30N4O3S2/c30-21(26-11-6-12-28-13-15-32-16-14-28)17-33-25-27-23-22(19-9-4-5-10-20(19)34-23)24(31)29(25)18-7-2-1-3-8-18/h1-3,7-8H,4-6,9-17H2,(H,26,30)
InChIKey QEPZXFUNTGJOIA-UHFFFAOYSA-N
Mol Weight 498.66 g/mol
Molecular Formula C25H30N4O3S2
Exact Mass 498.175933 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3Nm05WLos5l
Name Acetamide, 2-[(3,4,5,6,7,8-hexahydro-4-oxo-3-phenylbenzo[4,5]thieno[2,3-D]pyrimidin-2-yl)thio]-N-[3-(4-morpholinyl)propyl]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 498.175933187 u
Formula C25H30N4O3S2
InChI InChI=1S/C25H30N4O3S2/c30-21(26-11-6-12-28-13-15-32-16-14-28)17-33-25-27-23-22(19-9-4-5-10-20(19)34-23)24(31)29(25)18-7-2-1-3-8-18/h1-3,7-8H,4-6,9-17H2,(H,26,30)
InChIKey QEPZXFUNTGJOIA-UHFFFAOYSA-N
Molecular Weight 498.660 g/mol
SMILES N(C(CSC=1N(C(C2=C(N1)SC1=C2CCCC1)=O)C1=CC=CC=C1)=O)CCCN1CCOCC1