4-[[4-azanyl-6-(4-bromanyl-2-chloranyl-6-methyl-phenoxy)-1,3,5-triazin-2-yl]amino]benzenecarbonitrile

Systemtic Name: 4-[[4-azanyl-6-(4-bromanyl-2-chloranyl-6-methyl-phenoxy)-1,3,5-triazin-2-yl]amino]benzenecarbonitrile Openeye Name: 4-[[4-amino-6-(4-bromo-2-chloro-6-methyl-phenoxy)-1,3,5-triazin-2-yl]amino]benzonitrile CAS Name: 4-[[4-amino-6-(4-bromo-2-chloro-6-methylphenoxy)-1,3,5-triazin-2-yl]amino]benzonitrile IUPAC Name: 4-[[4-amino-6-(4-bromo-2-chloro-6-methylphenoxy)-1,3,5-triazin-2-yl]amino]benzonitrile Traditional Name: 4-[[4-amino-6-(4-bromo-2-chloro-6-methyl-phenoxy)-s-triazin-2-yl]amino]benzonitrile Formula: C17H12BrClN6O MolecularWeight: 431.67378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC2=NC(=NC(=N2)NC3=CC=C(C=C3)C#N)N)Cl)Br

Isomeric SMILES

CC1=CC(=CC(=C1OC2=NC(=NC(=N2)NC3=CC=C(C=C3)C#N)N)Cl)Br

InChI

InChI=1S/C17H12BrClN6O/c1-9-6-11(18)7-13(19)14(9)26-17-24-15(21)23-16(25-17)22-12-4-2-10(8-20)3-5-12/h2-7H,1H3,(H3,21,22,23,24,25)