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3-methyl-N-(4-{[(4-methyl-2-pyrimidinyl)amino]sulfonyl}phenyl)butanamide

View entire compound with spectra: 2 NMR

3-methyl-N-(4-{[(4-methyl-2-pyrimidinyl)amino]sulfonyl}phenyl)butanamide
SpectraBase Compound ID 2VzwpMNPLsr
InChI InChI=1S/C16H20N4O3S/c1-11(2)10-15(21)19-13-4-6-14(7-5-13)24(22,23)20-16-17-9-8-12(3)18-16/h4-9,11H,10H2,1-3H3,(H,19,21)(H,17,18,20)
InChIKey IQLBHQVBBPJDNN-UHFFFAOYSA-N
Mol Weight 348.42 g/mol
Molecular Formula C16H20N4O3S
Exact Mass 348.125612 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 58IMzNETOHo
Name 3-Methyl-N-(4-{[(4-methyl-2-pyrimidinyl)amino]sulfonyl}phenyl)butanamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 348.125611691 u
Formula C16H20N4O3S
InChI InChI=1S/C16H20N4O3S/c1-11(2)10-15(21)19-13-4-6-14(7-5-13)24(22,23)20-16-17-9-8-12(3)18-16/h4-9,11H,10H2,1-3H3,(H,19,21)(H,17,18,20)
InChIKey IQLBHQVBBPJDNN-UHFFFAOYSA-N
Molecular Weight 348.421 g/mol
SMILES N(C(=O)CC(C)C)C1=CC=C(S(NC=2N=C(C)C=CN2)(=O)=O)C=C1