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6-[4-(1-adamantyl)piperazin-1-yl]-2-N-propyl-4-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine
SpectraBase Compound ID 72of5bFkymh
InChI InChI=1S/C27H36F3N7O/c1-2-7-31-23-33-24(32-21-3-5-22(6-4-21)38-27(28,29)30)35-25(34-23)36-8-10-37(11-9-36)26-15-18-12-19(16-26)14-20(13-18)17-26/h3-6,18-20H,2,7-17H2,1H3,(H2,31,32,33,34,35)/t18-,19+,20-,26-
InChIKey AZUFQWLWNBKKQU-VTTXJZCFSA-N
Mol Weight 531.6 g/mol
Molecular Formula C27H36F3N7O
Exact Mass 531.293343 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HAnfT5BuyiC
Name 6-[4-(1-adamantyl)piperazin-1-yl]-2-N-propyl-4-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H36F3N7O
InChI InChI=1S/C27H36F3N7O/c1-2-7-31-23-33-24(32-21-3-5-22(6-4-21)38-27(28,29)30)35-25(34-23)36-8-10-37(11-9-36)26-15-18-12-19(16-26)14-20(13-18)17-26/h3-6,18-20H,2,7-17H2,1H3,(H2,31,32,33,34,35)/t18-,19+,20-,26-
InChIKey AZUFQWLWNBKKQU-VTTXJZCFSA-N
Molecular Weight 531.628 g/mol
SMILES N(c1nc(nc(n1)N1CCN(C23C[C@]4(C[C@@](C3)(C[C@@](C2)(C4)[H])[H])[H])CC1)NCCC)c1ccc(OC(F)(F)F)cc1
SPLASH splash10-0006-9625000000-5917f936aa2f1054b885
Synonyms [4-[4-(1-adamantyl)piperazino]-6-(propylamino)-s-triazin-2-yl]-[4-(trifluoromethoxy)phenyl]amine 6-[4-(1-adamantyl)-1-piperazinyl]-N4-propyl-N2-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine 6-[4-(1-adamantyl)piperazin-1-yl]-4-N-propyl-2-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine 6-[4-(1-adamantyl)piperazin-1-yl]-N4-propyl-N2-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine
Wiley ID 1453588