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2-methyl-N-(4-{[(4-methyl-2-pyrimidinyl)amino]sulfonyl}phenyl)propanamide
SpectraBase Compound ID LlKieWsBHQj
InChI InChI=1S/C15H18N4O3S/c1-10(2)14(20)18-12-4-6-13(7-5-12)23(21,22)19-15-16-9-8-11(3)17-15/h4-10H,1-3H3,(H,18,20)(H,16,17,19)
InChIKey KDXQNZQDCANBEM-UHFFFAOYSA-N
Mol Weight 334.39 g/mol
Molecular Formula C15H18N4O3S
Exact Mass 334.109962 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1FtPpTfpJuF
Name 2-Methyl-N-(4-{[(4-methyl-2-pyrimidinyl)amino]sulfonyl}phenyl)propanamide
Comments Computed using HOSE algorithm
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Exact Mass 334.109961627 u
Formula C15H18N4O3S
InChI InChI=1S/C15H18N4O3S/c1-10(2)14(20)18-12-4-6-13(7-5-12)23(21,22)19-15-16-9-8-11(3)17-15/h4-10H,1-3H3,(H,18,20)(H,16,17,19)
InChIKey KDXQNZQDCANBEM-UHFFFAOYSA-N
SMILES N(S(C1=CC=C(NC(=O)C(C)C)C=C1)(=O)=O)C=1N=C(C)C=CN1