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

Systemtic Name: N4-(3-bromophenyl)-N6-[(2-nitrophenyl)methyl]quinazoline-4,6-diamine Openeye Name: N4-(3-bromophenyl)-N6-[(2-nitrophenyl)methyl]quinazoline-4,6-diamine CAS Name: N4-(3-bromophenyl)-N6-[(2-nitrophenyl)methyl]quinazoline-4,6-diamine IUPAC Name: 4-N-(3-bromophenyl)-6-N-[(2-nitrophenyl)methyl]quinazoline-4,6-diamine Traditional Name: [4-(3-bromoanilino)quinazolin-6-yl]-(2-nitrobenzyl)amine Formula: C21H16BrN5O2 MolecularWeight: 450.28804

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CNC2=CC3=C(C=C2)N=CN=C3NC4=CC(=CC=C4)Br)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)CNC2=CC3=C(C=C2)N=CN=C3NC4=CC(=CC=C4)Br)[N+](=O)[O-]

InChI

InChI=1S/C21H16BrN5O2/c22-15-5-3-6-17(10-15)26-21-18-11-16(8-9-19(18)24-13-25-21)23-12-14-4-1-2-7-20(14)27(28)29/h1-11,13,23H,12H2,(H,24,25,26)