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4-N-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-6-N-methyl-2-N-phenyl-1,3,5-triazine-2,4,6-triamine
SpectraBase Compound ID B4x9Fwc9SXx
InChI InChI=1S/C18H16BrN7O2/c1-20-16-23-17(22-12-5-3-2-4-6-12)25-18(24-16)26-21-9-11-7-14-15(8-13(11)19)28-10-27-14/h2-9H,10H2,1H3,(H3,20,22,23,24,25,26)/b21-9+
InChIKey OQBRYHPRNVHBHJ-ZVBGSRNCSA-N
Mol Weight 442.28 g/mol
Molecular Formula C18H16BrN7O2
Exact Mass 441.054886 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2nXyAY8MdM
Name 4-N-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-6-N-methyl-2-N-phenyl-1,3,5-triazine-2,4,6-triamine
Alternate Name(s) [4-anilino-6-[(N'E)-N'-[(6-bromo-1,3-benzodioxol-5-yl)methylene]hydrazino]-s-triazin-2-yl]-methyl-amine N2-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-N6-methyl-N4-phenyl-1,3,5-triazine-2,4,6-triamine 2-N-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-6-N-methyl-4-N-phenyl-1,3,5-triazine-2,4,6-triamine N2-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methyleneamino]-N6-methyl-N4-phenyl-1,3,5-triazine-2,4,6-triamine
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Formula C18H16BrN7O2
InChI InChI=1S/C18H16BrN7O2/c1-20-16-23-17(22-12-5-3-2-4-6-12)25-18(24-16)26-21-9-11-7-14-15(8-13(11)19)28-10-27-14/h2-9H,10H2,1H3,(H3,20,22,23,24,25,26)/b21-9+
InChIKey OQBRYHPRNVHBHJ-ZVBGSRNCSA-N
Molecular Weight 442.277 g/mol
SMILES N(c1nc(nc(n1)N\N=C\c1c(cc2c(c1)OCO2)Br)Nc1ccccc1)C
SPLASH splash10-014r-9430000000-4401e68e0f84e9cfe03c
Wiley ID 1446711