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thieno[2,3-b]pyridine-2-carboxamide, 3,6-diamino-5-cyano-N-[3-(trifluoromethyl)phenyl]-
SpectraBase Compound ID 1afgn5IkQH4
InChI InChI=1S/C16H10F3N5OS/c17-16(18,19)8-2-1-3-9(5-8)23-14(25)12-11(21)10-4-7(6-20)13(22)24-15(10)26-12/h1-5H,21H2,(H2,22,24)(H,23,25)
InChIKey NCJCEZHRPGMOBV-UHFFFAOYSA-N
Mol Weight 377.35 g/mol
Molecular Formula C16H10F3N5OS
Exact Mass 377.055816 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8mVLy8HYDWJ
Name Thieno[2,3-B]pyridine-2-carboxamide, 3,6-diamino-5-cyano-N-[3-(trifluoromethyl)phenyl]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 377.055815624 u
Formula C16H10F3N5OS
InChI InChI=1S/C16H10F3N5OS/c17-16(18,19)8-2-1-3-9(5-8)23-14(25)12-11(21)10-4-7(6-20)13(22)24-15(10)26-12/h1-5H,21H2,(H2,22,24)(H,23,25)
InChIKey NCJCEZHRPGMOBV-UHFFFAOYSA-N
Molecular Weight 377.345 g/mol
SMILES NC1=NC=2SC(C(NC3=CC(C(F)(F)F)=CC=C3)=O)=C(C2C=C1C#N)N