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3-quinazolinebutanamide, N-(3,4-dimethoxyphenyl)-1,2,3,4-tetrahydro-4-oxo-2-thioxo-

View entire compound with spectra: 2 NMR

3-quinazolinebutanamide, N-(3,4-dimethoxyphenyl)-1,2,3,4-tetrahydro-4-oxo-2-thioxo-
SpectraBase Compound ID 9PJC6Hlk5x0
InChI InChI=1S/C20H21N3O4S/c1-26-16-10-9-13(12-17(16)27-2)21-18(24)8-5-11-23-19(25)14-6-3-4-7-15(14)22-20(23)28/h3-4,6-7,9-10,12H,5,8,11H2,1-2H3,(H,21,24)(H,22,28)
InChIKey TVOMJXWOHOTGKQ-UHFFFAOYSA-N
Mol Weight 399.47 g/mol
Molecular Formula C20H21N3O4S
Exact Mass 399.125277 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ceny2sTu0E3
Name 3-Quinazolinebutanamide, N-(3,4-dimethoxyphenyl)-1,2,3,4-tetrahydro-4-oxo-2-thioxo-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 399.125277338 u
Formula C20H21N3O4S
InChI InChI=1S/C20H21N3O4S/c1-26-16-10-9-13(12-17(16)27-2)21-18(24)8-5-11-23-19(25)14-6-3-4-7-15(14)22-20(23)28/h3-4,6-7,9-10,12H,5,8,11H2,1-2H3,(H,21,24)(H,22,28)
InChIKey TVOMJXWOHOTGKQ-UHFFFAOYSA-N
Molecular Weight 399.465 g/mol
SMILES N1C=2C(C(N(CCCC(NC=3C=C(OC)C(=CC3)OC)=O)C1=S)=O)=CC=CC2