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acetamide, 2-[(3-cyclopentyl-3,4-dihydro-4-oxo-2-quinazolinyl)thio]-N-[2-(3,4-dimethoxyphenyl)ethyl]-
SpectraBase Compound ID 12qLuTD8Yev
InChI InChI=1S/C25H29N3O4S/c1-31-21-12-11-17(15-22(21)32-2)13-14-26-23(29)16-33-25-27-20-10-6-5-9-19(20)24(30)28(25)18-7-3-4-8-18/h5-6,9-12,15,18H,3-4,7-8,13-14,16H2,1-2H3,(H,26,29)
InChIKey XFSKLOAVCUJFSH-UHFFFAOYSA-N
Mol Weight 467.58 g/mol
Molecular Formula C25H29N3O4S
Exact Mass 467.187878 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CAZlqrgy9yP
Name Acetamide, 2-[(3-cyclopentyl-3,4-dihydro-4-oxo-2-quinazolinyl)thio]-N-[2-(3,4-dimethoxyphenyl)ethyl]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 467.187877596 u
Formula C25H29N3O4S
InChI InChI=1S/C25H29N3O4S/c1-31-21-12-11-17(15-22(21)32-2)13-14-26-23(29)16-33-25-27-20-10-6-5-9-19(20)24(30)28(25)18-7-3-4-8-18/h5-6,9-12,15,18H,3-4,7-8,13-14,16H2,1-2H3,(H,26,29)
InChIKey XFSKLOAVCUJFSH-UHFFFAOYSA-N
Molecular Weight 467.584 g/mol
SMILES N(C(CSC=1N(C(C=2C(=CC=CC2)N1)=O)C1CCCC1)=O)CCC=1C=C(OC)C(=CC1)OC