4-[[4-azanyl-6-[(4-bromanyl-2,6-diethyl-phenyl)amino]-1,3,5-triazin-2-yl]amino]benzenecarbonitrile

Systemtic Name: 4-[[4-azanyl-6-[(4-bromanyl-2,6-diethyl-phenyl)amino]-1,3,5-triazin-2-yl]amino]benzenecarbonitrile Openeye Name: 4-[[4-amino-6-(4-bromo-2,6-diethyl-anilino)-1,3,5-triazin-2-yl]amino]benzonitrile CAS Name: 4-[[4-amino-6-(4-bromo-2,6-diethylanilino)-1,3,5-triazin-2-yl]amino]benzonitrile IUPAC Name: 4-[[4-amino-6-(4-bromo-2,6-diethylanilino)-1,3,5-triazin-2-yl]amino]benzonitrile Traditional Name: 4-[[4-amino-6-(4-bromo-2,6-diethyl-anilino)-s-triazin-2-yl]amino]benzonitrile Formula: C20H20BrN7 MolecularWeight: 438.3237

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC(=C1NC2=NC(=NC(=N2)NC3=CC=C(C=C3)C#N)N)CC)Br

Isomeric SMILES

CCC1=CC(=CC(=C1NC2=NC(=NC(=N2)NC3=CC=C(C=C3)C#N)N)CC)Br

InChI

InChI=1S/C20H20BrN7/c1-3-13-9-15(21)10-14(4-2)17(13)25-20-27-18(23)26-19(28-20)24-16-7-5-12(11-22)6-8-16/h5-10H,3-4H2,1-2H3,(H4,23,24,25,26,27,28)