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Imidodicarbonimidic diamide, N-(2-aminoethyl)-N',2-bis(4-chlorophenyl)-N'',N'''-bis[6-methyl-3-(methylthio)-5-oxo-1,2,4-triazin-4(5H)-yl]-
SpectraBase Compound ID 3wrs79HFv2Y
InChI InChI=1S/C26H28Cl2N12O2S2/c1-15-21(41)39(25(43-3)34-32-15)36-23(30-19-9-5-17(27)6-10-19)38(14-13-29)24(31-20-11-7-18(28)8-12-20)37-40-22(42)16(2)33-35-26(40)44-4/h5-12H,13-14,29H2,1-4H3,(H,30,36)(H,31,37)
InChIKey CJEMPYRTLYWCSR-UHFFFAOYSA-N
Mol Weight 675.62 g/mol
Molecular Formula C26H28Cl2N12O2S2
Exact Mass 674.127666 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6p5cChqf3uI
Name Imidodicarbonimidic diamide, N-(2-aminoethyl)-N',2-bis(4-chlorophenyl)-N'',N'''-bis[6-methyl-3-(methylthio)-5-oxo-1,2,4-triazin-4(5H)-yl]-
CAS Registry Number 118458-68-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H28Cl2N12O2S2
InChI InChI=1S/C26H28Cl2N12O2S2/c1-15-21(41)39(25(43-3)34-32-15)36-23(30-19-9-5-17(27)6-10-19)38(14-13-29)24(31-20-11-7-18(28)8-12-20)37-40-22(42)16(2)33-35-26(40)44-4/h5-12H,13-14,29H2,1-4H3,(H,30,36)(H,31,37)
InChIKey CJEMPYRTLYWCSR-UHFFFAOYSA-N
Molecular Weight 675.618 g/mol
SMILES N(\C(N(CCN)\C(=N\N1C(C(C)=NN=C1SC)=O)Nc1ccc(cc1)Cl)=N/N1C(C(C)=NN=C1SC)=O)c1ccc(cc1)Cl
SPLASH splash10-0ik9-0900000000-b5963c3e18a502c3ce5a
Source of Spectrum J-54-1268-2
Synonyms 1-[1-(2-aminoethyl)-3-(4-chlorophenyl)-2-[6-methyl-3-(methylsulfanyl)-5-oxo-4,5-dihydro-1,2,4-triazin-4-yl]carbamimidamido]-N-(4-chlorophenyl)-N'-[6-methyl-3-(methylsulfanyl)-5-oxo-4,5-dihydro-1,2,4-triazin-4-yl]methanimidamide Imidodicarbonimidic diamide, N-(2-aminoethyl)-N',2-bis(4-chlorophenyl)-N'',N'''-bis[6-methyl-3-(methylthio)-5-oxo-1,2,4-triazin-4(5H)-yl]-
Wiley ID 1414065