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1-[[4-(difluoromethyl)-6-(4-methoxyphenyl)pyrimidin-2-yl]sulfanylmethyl]-3,3-dimethyl-4H-isoquinoline
SpectraBase Compound ID BH1W7SsXkqU
InChI InChI=1S/C24H23F2N3OS/c1-24(2)13-16-6-4-5-7-18(16)21(29-24)14-31-23-27-19(12-20(28-23)22(25)26)15-8-10-17(30-3)11-9-15/h4-12,22H,13-14H2,1-3H3
InChIKey PLSNEDPJEVLOAI-UHFFFAOYSA-N
Mol Weight 439.52 g/mol
Molecular Formula C24H23F2N3OS
Exact Mass 439.15299 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B47UyalSM4W
Name 1-[[4-(difluoromethyl)-6-(4-methoxyphenyl)pyrimidin-2-yl]sulfanylmethyl]-3,3-dimethyl-4H-isoquinoline
Alternate Name(s) 1-[[4-[bis(fluoranyl)methyl]-6-(4-methoxyphenyl)pyrimidin-2-yl]sulfanylmethyl]-3,3-dimethyl-4H-isoquinoline 1-[[[4-(difluoromethyl)-6-(4-methoxyphenyl)-2-pyrimidinyl]thio]methyl]-3,3-dimethyl-4H-isoquinoline 1-[[[4-(difluoromethyl)-6-(4-methoxyphenyl)pyrimidin-2-yl]thio]methyl]-3,3-dimethyl-4H-isoquinoline
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H23F2N3OS
InChI InChI=1S/C24H23F2N3OS/c1-24(2)13-16-6-4-5-7-18(16)21(29-24)14-31-23-27-19(12-20(28-23)22(25)26)15-8-10-17(30-3)11-9-15/h4-12,22H,13-14H2,1-3H3
InChIKey PLSNEDPJEVLOAI-UHFFFAOYSA-N
Molecular Weight 439.525 g/mol
SMILES c1cc2C(=NC(Cc2cc1)(C)C)CSc1nc(C(F)F)cc(n1)-c1ccc(cc1)OC
SPLASH splash10-05fr-1910300000-77deade9d9cbbf135a10
Wiley ID 1442908