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1-Piperidinecarboximidamide, N'-[6-methyl-3-(methylthio)-5-oxo-1,2,4-triazin-4(5H)-yl]-N-[[[6-methyl-3-(methylthio)-5-oxo-1,2,4-triazin-4(5H)-yl]amino](phenylimino)methyl]-N-phenyl-
SpectraBase Compound ID HbLGA78vN6d
InChI InChI=1S/C29H33N11O2S2/c1-20-24(41)39(28(43-3)33-31-20)35-26(30-22-14-8-5-9-15-22)38(23-16-10-6-11-17-23)27(37-18-12-7-13-19-37)36-40-25(42)21(2)32-34-29(40)44-4/h5-6,8-11,14-17H,7,12-13,18-19H2,1-4H3,(H,30,35)/b36-27+
InChIKey OGCRMBSZVQUSMP-KJFHWCLQSA-N
Mol Weight 631.8 g/mol
Molecular Formula C29H33N11O2S2
Exact Mass 631.226012 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2rLEVjE6jKi
Name 1-Piperidinecarboximidamide, N'-[6-methyl-3-(methylthio)-5-oxo-1,2,4-triazin-4(5H)-yl]-N-[[[6-methyl-3-(methylthio)-5-oxo-1,2,4-triazin-4(5H)-yl]amino](phenylimino)methyl]-N-phenyl-
CAS Registry Number 118458-76-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H33N11O2S2
InChI InChI=1S/C29H33N11O2S2/c1-20-24(41)39(28(43-3)33-31-20)35-26(30-22-14-8-5-9-15-22)38(23-16-10-6-11-17-23)27(37-18-12-7-13-19-37)36-40-25(42)21(2)32-34-29(40)44-4/h5-6,8-11,14-17H,7,12-13,18-19H2,1-4H3,(H,30,35)/b36-27+
InChIKey OGCRMBSZVQUSMP-KJFHWCLQSA-N
Molecular Weight 631.778 g/mol
SMILES N(N1C(C(C)=NN=C1SC)=O)\C(N(\C(=N\N1C(C(C)=NN=C1SC)=O)N1CCCCC1)c1ccccc1)=N/c1ccccc1
SPLASH splash10-001i-9421000000-e1a06c8387448c5aa0f9
Source of Spectrum J-54-1268-2
Synonyms N'-(6-methyl-3-(methylsulfanyl)-5-oxo-1,2,4-triazin-4(5H)-yl)-N-[(E)-[(6-methyl-3-(methylsulfanyl)-5-oxo-1,2,4-triazin-4(5H)-yl)imino](1-piperidinyl)methyl]-N,N''-diphenylguanidine
Wiley ID 1412143