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2-[(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)methylsulfanyl]-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile
SpectraBase Compound ID 13ulZYpPhJu
InChI InChI=1S/C21H18F3N7OS/c22-21(23,24)15-10-16(13-4-2-1-3-5-13)27-18(14(15)11-25)33-12-17-28-19(26)30-20(29-17)31-6-8-32-9-7-31/h1-5,10H,6-9,12H2,(H2,26,28,29,30)
InChIKey VIHTXBKUDUEVTB-UHFFFAOYSA-N
Mol Weight 473.48 g/mol
Molecular Formula C21H18F3N7OS
Exact Mass 473.124564 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CdQ8oIerrCf
Name 2-[(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)methylsulfanyl]-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile
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Formula C21H18F3N7OS
InChI InChI=1S/C21H18F3N7OS/c22-21(23,24)15-10-16(13-4-2-1-3-5-13)27-18(14(15)11-25)33-12-17-28-19(26)30-20(29-17)31-6-8-32-9-7-31/h1-5,10H,6-9,12H2,(H2,26,28,29,30)
InChIKey VIHTXBKUDUEVTB-UHFFFAOYSA-N
Molecular Weight 473.478 g/mol
SMILES Nc1nc(nc(n1)CSc1c(c(C(F)(F)F)cc(n1)-c1ccccc1)C#N)N1CCOCC1
SPLASH splash10-0006-9710000000-09ceed02d7d60bd7f751
Synonyms 2-[(4-amino-6-morpholino-1,3,5-triazin-2-yl)methylsulfanyl]-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile 2-[(4-amino-6-morpholino-s-triazin-2-yl)methylthio]-6-phenyl-4-(trifluoromethyl)nicotinonitrile 2-[(4-azanyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)methylsulfanyl]-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile 2-[[4-amino-6-(4-morpholinyl)-1,3,5-triazin-2-yl]methylthio]-6-phenyl-4-(trifluoromethyl)-3-pyridinecarbonitrile
Wiley ID 1458270