1-[[4-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]-3,3-dimethyl-4H-isoquinoline

SpectraBase Compound ID	9Yer7SdnaBB
InChI	InChI=1S/C24H20F3N3O2S/c1-23(2)11-15-5-3-4-6-16(15)18(30-23)12-33-22-28-17(10-21(29-22)24(25,26)27)14-7-8-19-20(9-14)32-13-31-19/h3-10H,11-13H2,1-2H3
InChIKey	NGZGTONLFLSHQA-UHFFFAOYSA-N Google Search
Mol Weight	471.5 g/mol
Molecular Formula	C24H20F3N3O2S
Exact Mass	471.122833 g/mol

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SpectraBase Spectrum ID	8Oauay4eUMR
Name	1-[[4-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]-3,3-dimethyl-4H-isoquinoline
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C24H20F3N3O2S
InChI	InChI=1S/C24H20F3N3O2S/c1-23(2)11-15-5-3-4-6-16(15)18(30-23)12-33-22-28-17(10-21(29-22)24(25,26)27)14-7-8-19-20(9-14)32-13-31-19/h3-10H,11-13H2,1-2H3
InChIKey	NGZGTONLFLSHQA-UHFFFAOYSA-N
Molecular Weight	471.498 g/mol
SMILES	c1cc2C(=NC(Cc2cc1)(C)C)CSc1nc(C(F)(F)F)cc(n1)-c1cc2OCOc2cc1
SPLASH	splash10-00di-2900200000-0fae3752f4d68a5d9276
Synonyms	1-[[[4-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)-2-pyrimidinyl]thio]methyl]-3,3-dimethyl-4H-isoquinoline 1-[[[4-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]thio]methyl]-3,3-dimethyl-4H-isoquinoline
Wiley ID	1442464