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2-{5-[4-(4,6-Di-morpholin-4-yl-[1,3,5]triazin-2-ylamino)-phenyl]-4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl}-N-p-tolylacetamide

View entire compound with spectra: 1 NMR, and 1 MS (GC)

2-{5-[4-(4,6-Di-morpholin-4-yl-[1,3,5]triazin-2-ylamino)-phenyl]-4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl}-N-p-tolylacetamide
SpectraBase Compound ID FuoQG73iV8o
InChI InChI=1S/C29H34N10O3S/c1-20-3-7-22(8-4-20)30-24(40)19-43-29-36-35-25(37(29)2)21-5-9-23(10-6-21)31-26-32-27(38-11-15-41-16-12-38)34-28(33-26)39-13-17-42-18-14-39/h3-10H,11-19H2,1-2H3,(H,30,40)(H,31,32,33,34)
InChIKey DWRGNSGBTAMHEN-UHFFFAOYSA-N
Mol Weight 602.7 g/mol
Molecular Formula C29H34N10O3S
Exact Mass 602.253606 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Fbq8qPIqJPQ
Name 2-{5-[4-(4,6-di-Morpholin-4-yl-[1,3,5]triazin-2-ylamino)-phenyl]-4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl}-N-p-tolylacetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 602.253606166 u
Formula C29H34N10O3S
InChI InChI=1S/C29H34N10O3S/c1-20-3-7-22(8-4-20)30-24(40)19-43-29-36-35-25(37(29)2)21-5-9-23(10-6-21)31-26-32-27(38-11-15-41-16-12-38)34-28(33-26)39-13-17-42-18-14-39/h3-10H,11-19H2,1-2H3,(H,30,40)(H,31,32,33,34)
InChIKey DWRGNSGBTAMHEN-UHFFFAOYSA-N
Molecular Weight 602.718 g/mol
SMILES C=1(N(C(=NN1)SCC(NC=1C=CC(=CC1)C)=O)C)C1=CC=C(NC2=NC(N3CCOCC3)=NC(=N2)N2CCOCC2)C=C1