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thieno[2,3-b]pyridine-2-carboxamide, 3-amino-4-(2-furanyl)-N-(3-methoxyphenyl)-6-(4-methylphenyl)-
SpectraBase Compound ID 1hu1HaLhL8J
InChI InChI=1S/C26H21N3O3S/c1-15-8-10-16(11-9-15)20-14-19(21-7-4-12-32-21)22-23(27)24(33-26(22)29-20)25(30)28-17-5-3-6-18(13-17)31-2/h3-14H,27H2,1-2H3,(H,28,30)
InChIKey KTCUCTCWIJCBSX-UHFFFAOYSA-N
Mol Weight 455.53 g/mol
Molecular Formula C26H21N3O3S
Exact Mass 455.130363 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IugQzkUUEri
Name Thieno[2,3-B]pyridine-2-carboxamide, 3-amino-4-(2-furanyl)-N-(3-methoxyphenyl)-6-(4-methylphenyl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 455.130362719 u
Formula C26H21N3O3S
InChI InChI=1S/C26H21N3O3S/c1-15-8-10-16(11-9-15)20-14-19(21-7-4-12-32-21)22-23(27)24(33-26(22)29-20)25(30)28-17-5-3-6-18(13-17)31-2/h3-14H,27H2,1-2H3,(H,28,30)
InChIKey KTCUCTCWIJCBSX-UHFFFAOYSA-N
Molecular Weight 455.532 g/mol
SMILES NC1=C(C(NC=2C=C(OC)C=CC2)=O)SC=2N=C(C=C(C12)C=1OC=CC1)C=1C=CC(=CC1)C