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4-[4-(1-adamantyl)-1-piperazinyl]-6-(4-methyl-1-piperazinyl)-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine
SpectraBase Compound ID HegPUfRx56l
InChI InChI=1S/C29H39F3N8O/c1-37-6-8-38(9-7-37)26-34-25(33-23-2-4-24(5-3-23)41-29(30,31)32)35-27(36-26)39-10-12-40(13-11-39)28-17-20-14-21(18-28)16-22(15-20)19-28/h2-5,20-22H,6-19H2,1H3,(H,33,34,35,36)/t20-,21+,22-,28-
InChIKey ZZHGMRURFFHYLR-VXFDCQMPSA-N
Mol Weight 572.7 g/mol
Molecular Formula C29H39F3N8O
Exact Mass 572.319892 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1Tfu5Ros1Td
Name 4-[4-(1-adamantyl)-1-piperazinyl]-6-(4-methyl-1-piperazinyl)-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H39F3N8O
InChI InChI=1S/C29H39F3N8O/c1-37-6-8-38(9-7-37)26-34-25(33-23-2-4-24(5-3-23)41-29(30,31)32)35-27(36-26)39-10-12-40(13-11-39)28-17-20-14-21(18-28)16-22(15-20)19-28/h2-5,20-22H,6-19H2,1H3,(H,33,34,35,36)/t20-,21+,22-,28-
InChIKey ZZHGMRURFFHYLR-VXFDCQMPSA-N
Molecular Weight 572.681 g/mol
SMILES N(c1nc(nc(n1)N1CCN(C23C[C@]4(C[C@@](C3)(C[C@@](C2)(C4)[H])[H])[H])CC1)N1CCN(CC1)C)c1ccc(OC(F)(F)F)cc1
SPLASH splash10-003l-9816000000-78ca545bd05d33d0b2d6
Synonyms 4-[4-(1-adamantyl)piperazin-1-yl]-6-(4-methylpiperazin-1-yl)-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine 4-[4-(1-adamantyl)piperazin-1-yl]-6-(4-methylpiperazin-1-yl)-N-[4-(trifluoromethyloxy)phenyl]-1,3,5-triazin-2-amine [4-[4-(1-adamantyl)piperazino]-6-(4-methylpiperazino)-s-triazin-2-yl]-[4-(trifluoromethoxy)phenyl]amine
Wiley ID 1465035