N-(2-bromanyl-4-methyl-phenyl)-2-(4-butylphenyl)quinazolin-4-amine

Systemtic Name: N-(2-bromanyl-4-methyl-phenyl)-2-(4-butylphenyl)quinazolin-4-amine Openeye Name: N-(2-bromo-4-methyl-phenyl)-2-(4-butylphenyl)quinazolin-4-amine CAS Name: N-(2-bromo-4-methylphenyl)-2-(4-butylphenyl)-4-quinazolinamine IUPAC Name: N-(2-bromo-4-methylphenyl)-2-(4-butylphenyl)quinazolin-4-amine Traditional Name: (2-bromo-4-methyl-phenyl)-[2-(4-butylphenyl)quinazolin-4-yl]amine Formula: C25H24BrN3 MolecularWeight: 446.38216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=N2)NC4=C(C=C(C=C4)C)Br

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=N2)NC4=C(C=C(C=C4)C)Br

InChI

InChI=1S/C25H24BrN3/c1-3-4-7-18-11-13-19(14-12-18)24-27-22-9-6-5-8-20(22)25(29-24)28-23-15-10-17(2)16-21(23)26/h5-6,8-16H,3-4,7H2,1-2H3,(H,27,28,29)