2-[(3,3-dimethyl-4H-isoquinolin-1-yl)methylsulfanyl]-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline

SpectraBase Compound ID	CO54XhR9F3m
InChI	InChI=1S/C21H22F3N3S/c1-20(2)11-13-7-3-4-8-14(13)17(27-20)12-28-19-25-16-10-6-5-9-15(16)18(26-19)21(22,23)24/h3-4,7-8H,5-6,9-12H2,1-2H3
InChIKey	YKNJGKMVPZNLIX-UHFFFAOYSA-N Google Search
Mol Weight	405.48 g/mol
Molecular Formula	C21H22F3N3S
Exact Mass	405.148653 g/mol

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SpectraBase Spectrum ID	JJJHzphJiwC
Name	2-[(3,3-dimethyl-4H-isoquinolin-1-yl)methylsulfanyl]-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C21H22F3N3S
InChI	InChI=1S/C21H22F3N3S/c1-20(2)11-13-7-3-4-8-14(13)17(27-20)12-28-19-25-16-10-6-5-9-15(16)18(26-19)21(22,23)24/h3-4,7-8H,5-6,9-12H2,1-2H3
InChIKey	YKNJGKMVPZNLIX-UHFFFAOYSA-N
Molecular Weight	405.483 g/mol
SMILES	c1(C(F)(F)F)nc(SCC2=NC(C)(C)Cc3c2cccc3)nc2c1CCCC2
SPLASH	splash10-00di-3900000000-45e5098179c408920c6b
Synonyms	2-[(3,3-dimethyl-4H-isoquinolin-1-yl)methylthio]-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline
Wiley ID	1442461