1-[[4-(2-furyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]-3,3-dimethyl-4H-isoquinoline

SpectraBase Compound ID	9T3dqReGb3q
InChI	InChI=1S/C21H18F3N3OS/c1-20(2)11-13-6-3-4-7-14(13)16(27-20)12-29-19-25-15(17-8-5-9-28-17)10-18(26-19)21(22,23)24/h3-10H,11-12H2,1-2H3
InChIKey	HTVZDJPHXLEEIO-UHFFFAOYSA-N Google Search
Mol Weight	417.45 g/mol
Molecular Formula	C21H18F3N3OS
Exact Mass	417.112268 g/mol

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SpectraBase Spectrum ID	HBPcOupFzqJ
Name	1-[[4-(2-furyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]-3,3-dimethyl-4H-isoquinoline
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C21H18F3N3OS
InChI	InChI=1S/C21H18F3N3OS/c1-20(2)11-13-6-3-4-7-14(13)16(27-20)12-29-19-25-15(17-8-5-9-28-17)10-18(26-19)21(22,23)24/h3-10H,11-12H2,1-2H3
InChIKey	HTVZDJPHXLEEIO-UHFFFAOYSA-N
Molecular Weight	417.450 g/mol
SMILES	c1cc2C(=NC(Cc2cc1)(C)C)CSc1nc(C(F)(F)F)cc(n1)-c1occc1
SPLASH	splash10-00xr-3901000000-200fb7f5a57ae598ba43
Synonyms	1-[[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]-3,3-dimethyl-4H-isoquinoline 1-[[[4-(2-furanyl)-6-(trifluoromethyl)-2-pyrimidinyl]thio]methyl]-3,3-dimethyl-4H-isoquinoline 1-[[[4-(2-furyl)-6-(trifluoromethyl)pyrimidin-2-yl]thio]methyl]-3,3-dimethyl-4H-isoquinoline
Wiley ID	1442463