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1,3-Bis(4-fluoro-phenyl)-2,4-bis(6-methyl-3-methylthio-5-oxo-4,5-dihydro-1,2,4-triazin-4-yl)-5-methyl-biguanide
SpectraBase Compound ID KOUVe7S6O5O
InChI InChI=1S/C25H25F2N11O2S2/c1-14-20(39)37(24(41-4)32-30-14)34-22(28-3)36(19-12-8-17(27)9-13-19)23(29-18-10-6-16(26)7-11-18)35-38-21(40)15(2)31-33-25(38)42-5/h6-13H,1-5H3,(H,28,34)(H,29,35)
InChIKey WAPXOAPQWALCHT-UHFFFAOYSA-N
Mol Weight 613.67 g/mol
Molecular Formula C25H25F2N11O2S2
Exact Mass 613.160218 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JhVnb8fXQ07
Name 1,2-bis(4-fluorophenyl)-1-[methylimino-[[6-methyl-3-(methylthio)-5-oxo-1,2,4-triazin-4-yl]amino]methyl]-3-[6-methyl-3-(methylthio)-5-oxo-1,2,4-triazin-4-yl]guanidine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H25F2N11O2S2
InChI InChI=1S/C25H25F2N11O2S2/c1-14-20(39)37(24(41-4)32-30-14)34-22(28-3)36(19-12-8-17(27)9-13-19)23(29-18-10-6-16(26)7-11-18)35-38-21(40)15(2)31-33-25(38)42-5/h6-13H,1-5H3,(H,28,34)(H,29,35)
InChIKey WAPXOAPQWALCHT-UHFFFAOYSA-N
Molecular Weight 613.667 g/mol
SMILES N(\C(N(\C(=N/N1C(C(C)=NN=C1SC)=O)Nc1ccc(cc1)F)c1ccc(cc1)F)=N/N1C(C(C)=NN=C1SC)=O)C
SPLASH splash10-014i-9710000000-71a33fac2c9f5f23a8c5
Source of Spectrum KC-0-1868-10
Synonyms 1,2-bis(4-fluorophenyl)-1-[N'-methyl-N-(6-methyl-3-methylsulfanyl-5-oxidanylidene-1,2,4-triazin-4-yl)carbamimidoyl]-3-(6-methyl-3-methylsulfanyl-5-oxidanylidene-1,2,4-triazin-4-yl)guanidine 1,2-bis(4-fluorophenyl)-1-[N'-methyl-N-(6-methyl-3-methylsulfanyl-5-oxo-1,2,4-triazin-4-yl)carbamimidoyl]-3-(6-methyl-3-methylsulfanyl-5-oxo-1,2,4-triazin-4-yl)guanidine 1,2-bis(4-fluorophenyl)-3-[5-keto-6-methyl-3-(methylthio)-1,2,4-triazin-4-yl]-1-[N-[5-keto-6-methyl-3-(methylthio)-1,2,4-triazin-4-yl]-N'-methyl-amidino]guanidine
Wiley ID 820529