6-(5-bromanyl-2-phenylmethoxy-phenyl)-N4-(4-nitrophenyl)pyrimidine-2,4-diamine

Systemtic Name: 6-(5-bromanyl-2-phenylmethoxy-phenyl)-N4-(4-nitrophenyl)pyrimidine-2,4-diamine Openeye Name: 6-(2-benzyloxy-5-bromo-phenyl)-N4-(4-nitrophenyl)pyrimidine-2,4-diamine CAS Name: 6-(5-bromo-2-phenylmethoxyphenyl)-N4-(4-nitrophenyl)pyrimidine-2,4-diamine IUPAC Name: 6-(5-bromo-2-phenylmethoxyphenyl)-4-N-(4-nitrophenyl)pyrimidine-2,4-diamine Traditional Name: [2-amino-6-(2-benzoxy-5-bromo-phenyl)pyrimidin-4-yl]-(4-nitrophenyl)amine Formula: C23H18BrN5O3 MolecularWeight: 492.32472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=C(C=C(C=C2)Br)C3=CC(=NC(=N3)N)NC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)COC2=C(C=C(C=C2)Br)C3=CC(=NC(=N3)N)NC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H18BrN5O3/c24-16-6-11-21(32-14-15-4-2-1-3-5-15)19(12-16)20-13-22(28-23(25)27-20)26-17-7-9-18(10-8-17)29(30)31/h1-13H,14H2,(H3,25,26,27,28)