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3-Amino-4,6-dimethyl-thieno[2,3-b]pyridine-2-carboxylic acid (4-acetyl-phenyl)-amide
SpectraBase Compound ID 8qdM2f8CAd7
InChI InChI=1S/C18H17N3O2S/c1-9-8-10(2)20-18-14(9)15(19)16(24-18)17(23)21-13-6-4-12(5-7-13)11(3)22/h4-8H,19H2,1-3H3,(H,21,23)
InChIKey BUZQLKXFKWGWSZ-UHFFFAOYSA-N
Mol Weight 339.41 g/mol
Molecular Formula C18H17N3O2S
Exact Mass 339.104148 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6het3gAKJPf
Name 3-Amino-4,6-dimethyl-thieno[2,3-B]pyridine-2-carboxylic acid (4-acetyl-phenyl)-amide
Comments Computed using HOSE algorithm
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Exact Mass 339.104147971 u
Formula C18H17N3O2S
InChI InChI=1S/C18H17N3O2S/c1-9-8-10(2)20-18-14(9)15(19)16(24-18)17(23)21-13-6-4-12(5-7-13)11(3)22/h4-8H,19H2,1-3H3,(H,21,23)
InChIKey BUZQLKXFKWGWSZ-UHFFFAOYSA-N
Molecular Weight 339.413 g/mol
SMILES C1(=C(C2=C(C=C(C)N=C2S1)C)N)C(NC=1C=CC(C(C)=O)=CC1)=O