N-[(3-bromanyl-2-ethoxy-5-methylsulfanyl-phenyl)methyl]-N'-(5H-imidazo[4,5-c]pyridazin-6-yl)propane-1,3-diamine

Systemtic Name: N-[(3-bromanyl-2-ethoxy-5-methylsulfanyl-phenyl)methyl]-N'-(5H-imidazo[4,5-c]pyridazin-6-yl)propane-1,3-diamine Openeye Name: N-[(3-bromo-2-ethoxy-5-methylsulfanyl-phenyl)methyl]-N'-(5H-imidazo[4,5-c]pyridazin-6-yl)propane-1,3-diamine CAS Name: N-[[3-bromo-2-ethoxy-5-(methylthio)phenyl]methyl]-N'-(5H-imidazo[4,5-c]pyridazin-6-yl)propane-1,3-diamine IUPAC Name: N-[(3-bromo-2-ethoxy-5-methylsulfanylphenyl)methyl]-N'-(5H-imidazo[4,5-c]pyridazin-6-yl)propane-1,3-diamine Traditional Name: [3-bromo-2-ethoxy-5-(methylthio)benzyl]-[3-(5H-imidazo[4,5-c]pyridazin-6-ylamino)propyl]amine Formula: C18H23BrN6OS MolecularWeight: 451.38382

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1CNCCCNC2=NC3=C(N2)C=CN=N3)SC)Br

Isomeric SMILES

CCOC1=C(C=C(C=C1CNCCCNC2=NC3=C(N2)C=CN=N3)SC)Br

InChI

InChI=1S/C18H23BrN6OS/c1-3-26-16-12(9-13(27-2)10-14(16)19)11-20-6-4-7-21-18-23-15-5-8-22-25-17(15)24-18/h5,8-10,20H,3-4,6-7,11H2,1-2H3,(H2,21,23,24,25)