N4-(3-bromophenyl)-N6-[[3-(2,5-dimethoxyphenoxy)phenyl]methyl]quinazoline-4,6-diamine

Systemtic Name: N4-(3-bromophenyl)-N6-[[3-(2,5-dimethoxyphenoxy)phenyl]methyl]quinazoline-4,6-diamine Openeye Name: N4-(3-bromophenyl)-N6-[[3-(2,5-dimethoxyphenoxy)phenyl]methyl]quinazoline-4,6-diamine CAS Name: N4-(3-bromophenyl)-N6-[[3-(2,5-dimethoxyphenoxy)phenyl]methyl]quinazoline-4,6-diamine IUPAC Name: 4-N-(3-bromophenyl)-6-N-[[3-(2,5-dimethoxyphenoxy)phenyl]methyl]quinazoline-4,6-diamine Traditional Name: [4-(3-bromoanilino)quinazolin-6-yl]-[3-(2,5-dimethoxyphenoxy)benzyl]amine Formula: C29H25BrN4O3 MolecularWeight: 557.4378

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)OC2=CC=CC(=C2)CNC3=CC4=C(C=C3)N=CN=C4NC5=CC(=CC=C5)Br

Isomeric SMILES

COC1=CC(=C(C=C1)OC)OC2=CC=CC(=C2)CNC3=CC4=C(C=C3)N=CN=C4NC5=CC(=CC=C5)Br

InChI

InChI=1S/C29H25BrN4O3/c1-35-23-10-12-27(36-2)28(16-23)37-24-8-3-5-19(13-24)17-31-21-9-11-26-25(15-21)29(33-18-32-26)34-22-7-4-6-20(30)14-22/h3-16,18,31H,17H2,1-2H3,(H,32,33,34)