N4-(3-bromophenyl)-N6-[[3-(4-methylphenoxy)phenyl]methyl]quinazoline-4,6-diamine

Systemtic Name: N4-(3-bromophenyl)-N6-[[3-(4-methylphenoxy)phenyl]methyl]quinazoline-4,6-diamine Openeye Name: N4-(3-bromophenyl)-N6-[[3-(4-methylphenoxy)phenyl]methyl]quinazoline-4,6-diamine CAS Name: N4-(3-bromophenyl)-N6-[[3-(4-methylphenoxy)phenyl]methyl]quinazoline-4,6-diamine IUPAC Name: 4-N-(3-bromophenyl)-6-N-[[3-(4-methylphenoxy)phenyl]methyl]quinazoline-4,6-diamine Traditional Name: [4-(3-bromoanilino)quinazolin-6-yl]-[3-(4-methylphenoxy)benzyl]amine Formula: C28H23BrN4O MolecularWeight: 511.41242

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC2=CC=CC(=C2)CNC3=CC4=C(C=C3)N=CN=C4NC5=CC(=CC=C5)Br

Isomeric SMILES

CC1=CC=C(C=C1)OC2=CC=CC(=C2)CNC3=CC4=C(C=C3)N=CN=C4NC5=CC(=CC=C5)Br

InChI

InChI=1S/C28H23BrN4O/c1-19-8-11-24(12-9-19)34-25-7-2-4-20(14-25)17-30-22-10-13-27-26(16-22)28(32-18-31-27)33-23-6-3-5-21(29)15-23/h2-16,18,30H,17H2,1H3,(H,31,32,33)