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4-[4-(1-adamantyl)piperazin-1-yl]-N-[4-[chloranyl-bis(fluoranyl)methoxy]phenyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine
SpectraBase Compound ID Gp2i3v1cWhR
InChI InChI=1S/C28H36ClF2N7O2/c29-28(30,31)40-23-3-1-22(2-4-23)32-24-33-25(35-26(34-24)37-9-11-39-12-10-37)36-5-7-38(8-6-36)27-16-19-13-20(17-27)15-21(14-19)18-27/h1-4,19-21H,5-18H2,(H,32,33,34,35)/t19-,20+,21-,27-
InChIKey SNTOIHWRJZLFIS-PHWDIDRRSA-N
Mol Weight 576.1 g/mol
Molecular Formula C28H36ClF2N7O2
Exact Mass 575.258707 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E6evm3JCba8
Name 4-[4-(1-adamantyl)piperazin-1-yl]-N-[4-[chloranyl-bis(fluoranyl)methoxy]phenyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H36ClF2N7O2
InChI InChI=1S/C28H36ClF2N7O2/c29-28(30,31)40-23-3-1-22(2-4-23)32-24-33-25(35-26(34-24)37-9-11-39-12-10-37)36-5-7-38(8-6-36)27-16-19-13-20(17-27)15-21(14-19)18-27/h1-4,19-21H,5-18H2,(H,32,33,34,35)/t19-,20+,21-,27-
InChIKey SNTOIHWRJZLFIS-PHWDIDRRSA-N
Molecular Weight 576.093 g/mol
SMILES N(c1nc(nc(n1)N1CCN(C23C[C@]4(C[C@@](C3)(C[C@@](C2)(C4)[H])[H])[H])CC1)N1CCOCC1)c1ccc(OC(Cl)(F)F)cc1
SPLASH splash10-002u-9513000000-3def530987acc693e9ac
Synonyms 4-[4-(1-adamantyl)piperazin-1-yl]-N-[4-[chloro(difluoro)methoxy]phenyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine 4-[4-(1-adamantyl)piperazin-1-yl]-N-[4-[chloro(difluoro)methoxy]phenyl]-6-morpholino-1,3,5-triazin-2-amine [4-[4-(1-adamantyl)piperazino]-6-morpholino-s-triazin-2-yl]-[4-[chloro(difluoro)methoxy]phenyl]amine
Wiley ID 1453823