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

SpectraBase Compound ID	HE0LUYX888a
InChI	InChI=1S/C24H23F2N3S/c1-15-8-10-16(11-9-15)19-12-20(22(25)26)28-23(27-19)30-14-21-18-7-5-4-6-17(18)13-24(2,3)29-21/h4-12,22H,13-14H2,1-3H3
InChIKey	VYPGHBXGBXYBKQ-UHFFFAOYSA-N Google Search
Mol Weight	423.53 g/mol
Molecular Formula	C24H23F2N3S
Exact Mass	423.158075 g/mol

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SpectraBase Spectrum ID	JOu6BVC08jO
Name	1-[[4-(difluoromethyl)-6-(4-methylphenyl)pyrimidin-2-yl]sulfanylmethyl]-3,3-dimethyl-4H-isoquinoline
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C24H23F2N3S
InChI	InChI=1S/C24H23F2N3S/c1-15-8-10-16(11-9-15)19-12-20(22(25)26)28-23(27-19)30-14-21-18-7-5-4-6-17(18)13-24(2,3)29-21/h4-12,22H,13-14H2,1-3H3
InChIKey	VYPGHBXGBXYBKQ-UHFFFAOYSA-N
Molecular Weight	423.526 g/mol
SMILES	c1cc2C(=NC(Cc2cc1)(C)C)CSc1nc(C(F)F)cc(n1)-c1ccc(cc1)C
SPLASH	splash10-00dl-0925200000-b11978820e885f1630aa
Synonyms	1-[[4-(difluoromethyl)-6-(p-tolyl)pyrimidin-2-yl]sulfanylmethyl]-3,3-dimethyl-4H-isoquinoline 1-[[4-[bis(fluoranyl)methyl]-6-(4-methylphenyl)pyrimidin-2-yl]sulfanylmethyl]-3,3-dimethyl-4H-isoquinoline 1-[[[4-(difluoromethyl)-6-(4-methylphenyl)-2-pyrimidinyl]thio]methyl]-3,3-dimethyl-4H-isoquinoline 1-[[[4-(difluoromethyl)-6-(p-tolyl)pyrimidin-2-yl]thio]methyl]-3,3-dimethyl-4H-isoquinoline
Wiley ID	1442226