3,6-diamino-N-[3,5-bis(trifluoromethyl)phenyl]-5-cyanothieno[2,3-b]pyridine-2-carboxamide

SpectraBase Compound ID	7Tjr8clWtjp
InChI	InChI=1S/C17H9F6N5OS/c18-16(19,20)7-2-8(17(21,22)23)4-9(3-7)27-14(29)12-11(25)10-1-6(5-24)13(26)28-15(10)30-12/h1-4H,25H2,(H2,26,28)(H,27,29)
InChIKey	UPVNCTLGJQDPRH-UHFFFAOYSA-N Google Search
Mol Weight	445.34 g/mol
Molecular Formula	C17H9F6N5OS
Exact Mass	445.0432 g/mol

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SpectraBase Spectrum ID	IkIGqNZTVAF
Name	3,6-diamino-N-[3,5-bis(trifluoromethyl)phenyl]-5-cyanothieno[2,3-b]pyridine-2-carboxamide
Author	A.V.Yarkov, IPAC, Russia
Copyright	Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI	InChI=1S/C17H9F6N5OS/c18-16(19,20)7-2-8(17(21,22)23)4-9(3-7)27-14(29)12-11(25)10-1-6(5-24)13(26)28-15(10)30-12/h1-4H,25H2,(H2,26,28)(H,27,29)
InChIKey	UPVNCTLGJQDPRH-UHFFFAOYSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI_21270_11478
Owner	Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State	soluted
Solvent	DMSO-d6
Source File Reference	VendorID: 1003348; UBI_ID: UBI-011481
Temperature	318 °C