Glycine, N-[[[6-methyl-3-(methylthio)-5-oxo-1,2,4-triazin-4(5H)-yl]amino][[[[6-methyl-3-(methylthio)-5-oxo-1,2,4-triazin-4(5H)-yl]amino](phenylimino)methyl]phenylamino]methylene]-, ethyl ester

SpectraBase Compound ID	9tSdwrWPfXw
InChI	InChI=1S/C28H31N11O4S2/c1-6-43-22(40)17-29-25(35-38-23(41)18(2)31-33-27(38)44-4)37(21-15-11-8-12-16-21)26(30-20-13-9-7-10-14-20)36-39-24(42)19(3)32-34-28(39)45-5/h7-16H,6,17H2,1-5H3,(H,29,35)(H,30,36)
InChIKey	UQSAPNHYGXQDAO-UHFFFAOYSA-N Google Search
Mol Weight	649.75 g/mol
Molecular Formula	C28H31N11O4S2
Exact Mass	649.200191 g/mol

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SpectraBase Spectrum ID	3vFBD5DX0oO
Name	Glycine, N-[[[6-methyl-3-(methylthio)-5-oxo-1,2,4-triazin-4(5H)-yl]amino][[[[6-methyl-3-(methylthio)-5-oxo-1,2,4-triazin-4(5H)-yl]amino](phenylimino)methyl]phenylamino]methylene]-, ethyl ester
CAS Registry Number	118458-70-1
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C28H31N11O4S2
InChI	InChI=1S/C28H31N11O4S2/c1-6-43-22(40)17-29-25(35-38-23(41)18(2)31-33-27(38)44-4)37(21-15-11-8-12-16-21)26(30-20-13-9-7-10-14-20)36-39-24(42)19(3)32-34-28(39)45-5/h7-16H,6,17H2,1-5H3,(H,29,35)(H,30,36)
InChIKey	UQSAPNHYGXQDAO-UHFFFAOYSA-N
Molecular Weight	649.749 g/mol
SMILES	N(\C(N(\C(NN1C(C(C)=NN=C1SC)=O)=N\CC(=O)OCC)c1ccccc1)=N\c1ccccc1)N1C(C(C)=NN=C1SC)=O
SPLASH	splash10-00nb-5911000000-c39aacf3dfeb0c86f309
Source of Spectrum	J-54-1268-2
Synonyms	Ethyl 2-[(E)-({1-[6-methyl-3-(methylsulfanyl)-5-oxo-4,5-dihydro-1,2,4-triazin-4-yl]-2,3-diphenylcarbamimidamido}({[6-methyl-3-(methylsulfanyl)-5-oxo-4,5-dihydro-1,2,4-triazin-4-yl]amino})methylidene)amino]acetate
Wiley ID	1413067