N-{(Z)-3,4-dihydro-2(1H)-isoquinolinyl[(4,6-dimethyl-2-pyrimidinyl)amino]methylidene}-2,2,2-trifluoroacetamide

SpectraBase Compound ID	3brGCGH2sKz
InChI	InChI=1S/C18H18F3N5O/c1-11-9-12(2)23-16(22-11)25-17(24-15(27)18(19,20)21)26-8-7-13-5-3-4-6-14(13)10-26/h3-6,9H,7-8,10H2,1-2H3,(H,22,23,24,25,27)
InChIKey	XKJCOYFWBGDGQG-UHFFFAOYSA-N Google Search
Mol Weight	377.37 g/mol
Molecular Formula	C18H18F3N5O
Exact Mass	377.146345 g/mol

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SpectraBase Spectrum ID	IlBLDBVcdxJ
Name	N-{(Z)-3,4-dihydro-2(1H)-isoquinolinyl[(4,6-dimethyl-2-pyrimidinyl)amino]methylidene}-2,2,2-trifluoroacetamide
Author	A.V.Yarkov, IPAC, Russia
Copyright	Copyright © 2016-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2025 John Wiley & Sons, Inc. All Rights Reserved.
InChI	InChI=1S/C18H18F3N5O/c1-11-9-12(2)23-16(22-11)25-17(24-15(27)18(19,20)21)26-8-7-13-5-3-4-6-14(13)10-26/h3-6,9H,7-8,10H2,1-2H3,(H,22,23,24,25,27)
InChIKey	XKJCOYFWBGDGQG-UHFFFAOYSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_13854
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: D91374; Labnumber: VGU-31768; SBI_ID: SBI-013857
Synonyms	N-{3,4-dihydro-2(1H)-isoquinolinyl[(4,6-dimethyl-2-pyrimidinyl)amino]methylidene}-2,2,2-trifluoroacetamide
Temperature	318 °C