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3-Amino-4,6-dimethyl-N-(1-phenylethyl)thieno[2,3-B]pyridine-2-carboxamide, ac derivative
SpectraBase Compound ID FdXG6OVM4CE
InChI InChI=1S/C20H21N3O2S/c1-11-10-12(2)21-20-16(11)17(23-14(4)24)18(26-20)19(25)22-13(3)15-8-6-5-7-9-15/h5-10,13H,1-4H3,(H,22,25)(H,23,24)
InChIKey VQZVHCWXHNCLKK-UHFFFAOYSA-N
Mol Weight 367.47 g/mol
Molecular Formula C20H21N3O2S
Exact Mass 367.135448 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Du7NqIRL4Ml
Name 3-Amino-4,6-dimethyl-N-(1-phenylethyl)thieno[2,3-B]pyridine-2-carboxamide, ac derivative
Comments Computed using HOSE algorithm
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Exact Mass 367.135448100 u
Formula C20H21N3O2S
InChI InChI=1S/C20H21N3O2S/c1-11-10-12(2)21-20-16(11)17(23-14(4)24)18(26-20)19(25)22-13(3)15-8-6-5-7-9-15/h5-10,13H,1-4H3,(H,22,25)(H,23,24)
InChIKey VQZVHCWXHNCLKK-UHFFFAOYSA-N
Molecular Weight 367.467 g/mol
SMILES C1=2SC(=C(C1=C(C=C(N2)C)C)NC(C)=O)C(=O)NC(C)C1=CC=CC=C1