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1,3,5-Triazin-2-amine, 4-[1-[[4-cyclohexyl-5-(phenylmethyl)-4H-1,2,4-triazol-3-yl]thio]ethyl]-6-[3,4-dihydro-1(2H)-quinolinyl]-
SpectraBase Compound ID 4X03FskD3l
InChI InChI=1S/C29H34N8S/c1-20(26-31-27(30)33-28(32-26)36-18-10-14-22-13-8-9-17-24(22)36)38-29-35-34-25(19-21-11-4-2-5-12-21)37(29)23-15-6-3-7-16-23/h2,4-5,8-9,11-13,17,20,23H,3,6-7,10,14-16,18-19H2,1H3,(H2,30,31,32,33)
InChIKey GOUONEFSRMNNQD-UHFFFAOYSA-N
Mol Weight 526.7 g/mol
Molecular Formula C29H34N8S
Exact Mass 526.262714 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 32N3Wj7GDhN
Name 1,3,5-Triazin-2-amine, 4-[1-[[4-cyclohexyl-5-(phenylmethyl)-4H-1,2,4-triazol-3-yl]thio]ethyl]-6-[3,4-dihydro-1(2H)-quinolinyl]-
Alternate Name(s) 4-[1-[[4-cyclohexyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]ethyl]-6-(3,4-dihydro-2H-quinolin-1-yl)-1,3,5-triazin-2-amine 4-[1-[(5-benzyl-4-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-6-(3,4-dihydro-2H-quinolin-1-yl)-1,3,5-triazin-2-amine 4-[1-[[4-cyclohexyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-6-(3,4-dihydro-2H-quinolin-1-yl)-1,3,5-triazin-2-amine
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Formula C29H34N8S
InChI InChI=1S/C29H34N8S/c1-20(26-31-27(30)33-28(32-26)36-18-10-14-22-13-8-9-17-24(22)36)38-29-35-34-25(19-21-11-4-2-5-12-21)37(29)23-15-6-3-7-16-23/h2,4-5,8-9,11-13,17,20,23H,3,6-7,10,14-16,18-19H2,1H3,(H2,30,31,32,33)
InChIKey GOUONEFSRMNNQD-UHFFFAOYSA-N
Molecular Weight 526.707 g/mol
SMILES Nc1nc(nc(C(Sc2[n](C3CCCCC3)c(Cc3ccccc3)nn2)C)n1)N1CCCc2c1cccc2
SPLASH splash10-0udi-2590000000-20108007dd3b18e9a674
Source of Spectrum IY-1-4503-6
Wiley ID 1653019