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

SpectraBase Compound ID	LnXtoK0PBh
InChI	InChI=1S/C23H19F4N3S/c1-22(2)12-15-5-3-4-6-17(15)19(30-22)13-31-21-28-18(11-20(29-21)23(25,26)27)14-7-9-16(24)10-8-14/h3-11H,12-13H2,1-2H3
InChIKey	GIVATPJPEDACJS-UHFFFAOYSA-N Google Search
Mol Weight	445.48 g/mol
Molecular Formula	C23H19F4N3S
Exact Mass	445.123581 g/mol

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SpectraBase Spectrum ID	1ORmjbmghwt
Name	1-[[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]-3,3-dimethyl-4H-isoquinoline
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C23H19F4N3S
InChI	InChI=1S/C23H19F4N3S/c1-22(2)12-15-5-3-4-6-17(15)19(30-22)13-31-21-28-18(11-20(29-21)23(25,26)27)14-7-9-16(24)10-8-14/h3-11H,12-13H2,1-2H3
InChIKey	GIVATPJPEDACJS-UHFFFAOYSA-N
Molecular Weight	445.480 g/mol
SMILES	c1cc2C(=NC(Cc2cc1)(C)C)CSc1nc(C(F)(F)F)cc(n1)-c1ccc(cc1)F
SPLASH	splash10-00di-0910400000-acf9bd7bdc75a1e9c42f
Synonyms	1-[[[4-(4-fluorophenyl)-6-(trifluoromethyl)-2-pyrimidinyl]thio]methyl]-3,3-dimethyl-4H-isoquinoline 1-[[[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]thio]methyl]-3,3-dimethyl-4H-isoquinoline
Wiley ID	1442225