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2-[(3,3-dimethyl-4H-isoquinolin-1-yl)methylsulfanyl]-4-(trifluoromethyl)-5H-indeno[1,2-d]pyrimidine

View entire compound with spectra: 1 MS (GC)

2-[(3,3-dimethyl-4H-isoquinolin-1-yl)methylsulfanyl]-4-(trifluoromethyl)-5H-indeno[1,2-d]pyrimidine
SpectraBase Compound ID HykcKyMWn3S
InChI InChI=1S/C24H20F3N3S/c1-23(2)12-15-8-4-5-9-16(15)19(30-23)13-31-22-28-20-17-10-6-3-7-14(17)11-18(20)21(29-22)24(25,26)27/h3-10H,11-13H2,1-2H3
InChIKey AZHVTODGFUOLTF-UHFFFAOYSA-N
Mol Weight 439.5 g/mol
Molecular Formula C24H20F3N3S
Exact Mass 439.133003 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 32PEQ8VQ5J4
Name 2-[(3,3-dimethyl-4H-isoquinolin-1-yl)methylsulfanyl]-4-(trifluoromethyl)-5H-indeno[1,2-d]pyrimidine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H20F3N3S
InChI InChI=1S/C24H20F3N3S/c1-23(2)12-15-8-4-5-9-16(15)19(30-23)13-31-22-28-20-17-10-6-3-7-14(17)11-18(20)21(29-22)24(25,26)27/h3-10H,11-13H2,1-2H3
InChIKey AZHVTODGFUOLTF-UHFFFAOYSA-N
Molecular Weight 439.500 g/mol
SMILES c12c(nc(nc2C(F)(F)F)SCC2=NC(C)(C)Cc3c2cccc3)-c2ccccc2C1
SPLASH splash10-00di-1900100000-74d61267f935edd29d37
Synonyms 2-[(3,3-dimethyl-4H-isoquinolin-1-yl)methylthio]-4-(trifluoromethyl)-5H-indeno[1,2-d]pyrimidine
Wiley ID 1442906