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3,6-diamino-5-cyano-N-(2-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide

View entire compound with spectra: 2 NMR

3,6-diamino-5-cyano-N-(2-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
SpectraBase Compound ID Bia4yOKvbb
InChI InChI=1S/C16H13N5O2S/c1-23-11-5-3-2-4-10(11)20-15(22)13-12(18)9-6-8(7-17)14(19)21-16(9)24-13/h2-6H,18H2,1H3,(H2,19,21)(H,20,22)
InChIKey QLMJTGYGIRRMPY-UHFFFAOYSA-N
Mol Weight 339.37 g/mol
Molecular Formula C16H13N5O2S
Exact Mass 339.078996 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5Y1OB67bPLi
Name 3,6-Diamino-5-cyano-N-(2-methoxyphenyl)thieno[2,3-B]pyridine-2-carboxamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 339.078995851 u
Formula C16H13N5O2S
InChI InChI=1S/C16H13N5O2S/c1-23-11-5-3-2-4-10(11)20-15(22)13-12(18)9-6-8(7-17)14(19)21-16(9)24-13/h2-6H,18H2,1H3,(H2,19,21)(H,20,22)
InChIKey QLMJTGYGIRRMPY-UHFFFAOYSA-N
Molecular Weight 339.373 g/mol
SMILES NC1=NC=2SC(C(NC3=C(OC)C=CC=C3)=O)=C(C2C=C1C#N)N