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thieno[2,3-b]pyridine-2-carboxamide, 3-amino-N-(2,3-dimethylphenyl)-4-(2-furanyl)-6-phenyl-
SpectraBase Compound ID CdG2HRfqMlz
InChI InChI=1S/C26H21N3O2S/c1-15-8-6-11-19(16(15)2)28-25(30)24-23(27)22-18(21-12-7-13-31-21)14-20(29-26(22)32-24)17-9-4-3-5-10-17/h3-14H,27H2,1-2H3,(H,28,30)
InChIKey MAMPNNHMIHQBAG-UHFFFAOYSA-N
Mol Weight 439.53 g/mol
Molecular Formula C26H21N3O2S
Exact Mass 439.135448 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6pJ0O4WchQh
Name Thieno[2,3-B]pyridine-2-carboxamide, 3-amino-N-(2,3-dimethylphenyl)-4-(2-furanyl)-6-phenyl-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 439.135448100 u
Formula C26H21N3O2S
InChI InChI=1S/C26H21N3O2S/c1-15-8-6-11-19(16(15)2)28-25(30)24-23(27)22-18(21-12-7-13-31-21)14-20(29-26(22)32-24)17-9-4-3-5-10-17/h3-14H,27H2,1-2H3,(H,28,30)
InChIKey MAMPNNHMIHQBAG-UHFFFAOYSA-N
Molecular Weight 439.533 g/mol
SMILES NC1=C(C(NC=2C(=C(C)C=CC2)C)=O)SC=2N=C(C=C(C12)C=1OC=CC1)C=1C=CC=CC1