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Imidodicarbonimidic diamide, N,2-bis(4-methoxyphenyl)-N'-methyl-N'',N'''-bis[6-methyl-3-(methylthio)-5-oxo-1,2,4-triazin-4(5H)-yl]-
SpectraBase Compound ID CelMXPAV5rH
InChI InChI=1S/C27H31N11O4S2/c1-16-22(39)37(26(43-6)32-30-16)34-24(28-18-8-12-20(41-4)13-9-18)36(3)25(29-19-10-14-21(42-5)15-11-19)35-38-23(40)17(2)31-33-27(38)44-7/h8-15H,1-7H3,(H,28,34)(H,29,35)
InChIKey OTGCLVDCBYUCIR-UHFFFAOYSA-N
Mol Weight 637.74 g/mol
Molecular Formula C27H31N11O4S2
Exact Mass 637.200191 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3nrM4yomTWh
Name Imidodicarbonimidic diamide, N,2-bis(4-methoxyphenyl)-N'-methyl-N'',N'''-bis[6-methyl-3-(methylthio)-5-oxo-1,2,4-triazin-4(5H)-yl]-
Alternate Name(s) Imidodicarbonimidic diamide, n,2-bis(4-methoxyphenyl)-N'-methyl-N'',N'''-bis[6-methyl-3-(methylthio)-5-oxo-1,2,4-triazin-4(5H)-yl]- N-(4-methoxyphenyl)-1-[3-(4-methoxyphenyl)-1-methyl-2-[6-methyl-3-(methylsulfanyl)-5-oxo-4,5-dihydro-1,2,4-triazin-4-yl]carbamimidamido]-N'-[6-methyl-3-(methylsulfanyl)-5-oxo-4,5-dihydro-1,2,4-triazin-4-yl]methanimidamide
CAS Registry Number 118458-65-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H31N11O4S2
InChI InChI=1S/C27H31N11O4S2/c1-16-22(39)37(26(43-6)32-30-16)34-24(28-18-8-12-20(41-4)13-9-18)36(3)25(29-19-10-14-21(42-5)15-11-19)35-38-23(40)17(2)31-33-27(38)44-7/h8-15H,1-7H3,(H,28,34)(H,29,35)
InChIKey OTGCLVDCBYUCIR-UHFFFAOYSA-N
Molecular Weight 637.738 g/mol
SMILES N(\C(N(\C(=N\N1C(C(C)=NN=C1SC)=O)Nc1ccc(cc1)OC)C)=N/N1C(C(C)=NN=C1SC)=O)c1ccc(cc1)OC
SPLASH splash10-0002-9800000000-42a3c84400a8ed088962
Source of Spectrum J-54-1268-2
Wiley ID 1412436