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6-[4-(1-adamantyl)piperazin-1-yl]-2-N-[4-[chloro(difluoro)methoxy]phenyl]-4-N-methyl-1,3,5-triazine-2,4-diamine
SpectraBase Compound ID FmZsN93lmkw
InChI InChI=1S/C25H32ClF2N7O/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 OYQRWYDAQLVXAL-OXLXHMEASA-N
Mol Weight 520.0 g/mol
Molecular Formula C25H32ClF2N7O
Exact Mass 519.232493 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E7LSisKuNbE
Name 6-[4-(1-adamantyl)piperazin-1-yl]-2-N-[4-[chloro(difluoro)methoxy]phenyl]-4-N-methyl-1,3,5-triazine-2,4-diamine
Alternate Name(s) [4-[4-(1-adamantyl)piperazino]-6-[4-[chloro(difluoro)methoxy]anilino]-s-triazin-2-yl]-methyl-amine 6-[4-(1-adamantyl)-1-piperazinyl]-N4-[4-[chloro(difluoro)methoxy]phenyl]-N2-methyl-1,3,5-triazine-2,4-diamine 6-[4-(1-adamantyl)piperazin-1-yl]-4-N-[4-[chloro(difluoro)methoxy]phenyl]-2-N-methyl-1,3,5-triazine-2,4-diamine 6-[4-(1-adamantyl)piperazin-1-yl]-N4-[4-[chloro(difluoro)methoxy]phenyl]-N2-methyl-1,3,5-triazine-2,4-diamine
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Formula C25H32ClF2N7O
InChI InChI=1S/C25H32ClF2N7O/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 OYQRWYDAQLVXAL-OXLXHMEASA-N
Molecular Weight 520.029 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(Cl)(F)F)cc1
SPLASH splash10-004l-9827000000-32ebff5b76f00d08249c
Wiley ID 1463952