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6-[4-(1-adamantyl)piperazin-1-yl]-4-N-methyl-2-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine
SpectraBase Compound ID 8oIiBNF4T4E
InChI InChI=1S/C25H32F3N7O/c1-29-21-31-22(30-19-2-4-20(5-3-19)36-25(26,27)28)33-23(32-21)34-6-8-35(9-7-34)24-13-16-10-17(14-24)12-18(11-16)15-24/h2-5,16-18H,6-15H2,1H3,(H2,29,30,31,32,33)/t16-,17+,18-,24-
InChIKey IHEDSNPQMSCTSI-OXLXHMEASA-N
Mol Weight 503.6 g/mol
Molecular Formula C25H32F3N7O
Exact Mass 503.262043 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AE6YJtQgD1r
Name 6-[4-(1-adamantyl)piperazin-1-yl]-4-N-methyl-2-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H32F3N7O
InChI InChI=1S/C25H32F3N7O/c1-29-21-31-22(30-19-2-4-20(5-3-19)36-25(26,27)28)33-23(32-21)34-6-8-35(9-7-34)24-13-16-10-17(14-24)12-18(11-16)15-24/h2-5,16-18H,6-15H2,1H3,(H2,29,30,31,32,33)/t16-,17+,18-,24-
InChIKey IHEDSNPQMSCTSI-OXLXHMEASA-N
Molecular Weight 503.574 g/mol
SMILES N(c1nc(nc(n1)N1CCN(C23C[C@]4(C[C@@](C3)(C[C@@](C2)(C4)[H])[H])[H])CC1)NC)c1ccc(OC(F)(F)F)cc1
SPLASH splash10-01t9-8729000000-98f8a68521fb2832f4ea
Synonyms [4-[4-(1-adamantyl)piperazino]-6-(methylamino)-s-triazin-2-yl]-[4-(trifluoromethoxy)phenyl]amine 6-[4-(1-adamantyl)-1-piperazinyl]-N2-methyl-N4-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine 6-[4-(1-adamantyl)piperazin-1-yl]-2-N-methyl-4-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine 6-[4-(1-adamantyl)piperazin-1-yl]-N2-methyl-N4-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine
Wiley ID 1463958