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6-tert-Butyl-2-[(3,3-dimethyl-4H-isoquinolin-1-yl)methylsulfanyl]-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline
SpectraBase Compound ID 27iaOp0GGqZ
InChI InChI=1S/C25H30F3N3S/c1-23(2,3)16-10-11-19-18(12-16)21(25(26,27)28)30-22(29-19)32-14-20-17-9-7-6-8-15(17)13-24(4,5)31-20/h6-9,16H,10-14H2,1-5H3
InChIKey NXJCNJIFUFTABE-UHFFFAOYSA-N
Mol Weight 461.59 g/mol
Molecular Formula C25H30F3N3S
Exact Mass 461.211254 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9jBXLg8shYa
Name 6-tert-Butyl-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 C25H30F3N3S
InChI InChI=1S/C25H30F3N3S/c1-23(2,3)16-10-11-19-18(12-16)21(25(26,27)28)30-22(29-19)32-14-20-17-9-7-6-8-15(17)13-24(4,5)31-20/h6-9,16H,10-14H2,1-5H3
InChIKey NXJCNJIFUFTABE-UHFFFAOYSA-N
Molecular Weight 461.591 g/mol
SMILES c12c(C(F)(F)F)nc(nc2CCC(C1)C(C)(C)C)SCC1=NC(C)(C)Cc2c1cccc2
SPLASH splash10-00fr-3900400000-63a389a632a75b1d2bf0
Synonyms 6-tert-Butyl-2-[(3,3-dimethyl-4H-isoquinolin-1-yl)methylthio]-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline
Wiley ID 1442460