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6-[4-(1-adamantyl)piperazin-1-yl]-4-N-[4-[chloro(difluoro)methoxy]phenyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SpectraBase Compound ID 48Eot9Y9xbb
InChI InChI=1S/C26H34ClF2N7O/c1-34(2)23-31-22(30-20-3-5-21(6-4-20)37-26(27,28)29)32-24(33-23)35-7-9-36(10-8-35)25-14-17-11-18(15-25)13-19(12-17)16-25/h3-6,17-19H,7-16H2,1-2H3,(H,30,31,32,33)/t17-,18+,19-,25-
InChIKey QLOHRUYOJYRBKN-DXSJEHQWSA-N
Mol Weight 534.1 g/mol
Molecular Formula C26H34ClF2N7O
Exact Mass 533.248143 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ISA1KFPcE7D
Name 6-[4-(1-adamantyl)piperazin-1-yl]-4-N-[4-[chloro(difluoro)methoxy]phenyl]-2-N,2-N-dimethyl-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]-dimethyl-amine 6-[4-(1-adamantyl)-1-piperazinyl]-N2-[4-[chloro(difluoro)methoxy]phenyl]-N4,N4-dimethyl-1,3,5-triazine-2,4-diamine 6-[4-(1-adamantyl)piperazin-1-yl]-2-N-[4-[chloro(difluoro)methoxy]phenyl]-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine 6-[4-(1-adamantyl)piperazin-1-yl]-N2-[4-[chloro(difluoro)methoxy]phenyl]-N4,N4-dimethyl-1,3,5-triazine-2,4-diamine
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Formula C26H34ClF2N7O
InChI InChI=1S/C26H34ClF2N7O/c1-34(2)23-31-22(30-20-3-5-21(6-4-20)37-26(27,28)29)32-24(33-23)35-7-9-36(10-8-35)25-14-17-11-18(15-25)13-19(12-17)16-25/h3-6,17-19H,7-16H2,1-2H3,(H,30,31,32,33)/t17-,18+,19-,25-
InChIKey QLOHRUYOJYRBKN-DXSJEHQWSA-N
Molecular Weight 534.056 g/mol
SMILES N(c1nc(nc(n1)N1CCN(C23C[C@]4(C[C@@](C3)(C[C@@](C2)(C4)[H])[H])[H])CC1)N(C)C)c1ccc(OC(F)(F)Cl)cc1
SPLASH splash10-054x-9514000000-3e1f0fa829d253270fb2
Wiley ID 1453830