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[4-(5-Benzylsulfanyl-4-methyl-4H-[1,2,4]triazol-3-yl)phenyl]-(4,6-di-morpholin-4-yl-[1,3,5]triazin-2-yl)-amine
SpectraBase Compound ID L8WdgEpwFuX
InChI InChI=1S/C27H31N9O2S/c1-34-23(32-33-27(34)39-19-20-5-3-2-4-6-20)21-7-9-22(10-8-21)28-24-29-25(35-11-15-37-16-12-35)31-26(30-24)36-13-17-38-18-14-36/h2-10H,11-19H2,1H3,(H,28,29,30,31)
InChIKey JMUKEZYNKVGMPM-UHFFFAOYSA-N
Mol Weight 545.67 g/mol
Molecular Formula C27H31N9O2S
Exact Mass 545.232142 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IezUvHA2sC2
Name [4-(5-Benzylsulfanyl-4-methyl-4H-[1,2,4]triazol-3-yl)phenyl]-(4,6-di-morpholin-4-yl-[1,3,5]triazin-2-yl)-amine
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Formula C27H31N9O2S
InChI InChI=1S/C27H31N9O2S/c1-34-23(32-33-27(34)39-19-20-5-3-2-4-6-20)21-7-9-22(10-8-21)28-24-29-25(35-11-15-37-16-12-35)31-26(30-24)36-13-17-38-18-14-36/h2-10H,11-19H2,1H3,(H,28,29,30,31)
InChIKey JMUKEZYNKVGMPM-UHFFFAOYSA-N
Molecular Weight 545.666 g/mol
SMILES N(c1nc(N2CCOCC2)nc(n1)N1CCOCC1)c1ccc(-c2[n](c(nn2)SCc2ccccc2)C)cc1
SPLASH splash10-0002-0001390000-b82e0cd80f82777475d6
Source of Spectrum Y-45-1219-8b
Wiley ID 1666380