N4-(5-bromanylpyridin-2-yl)-5-nitro-N6-(4-phenyldiazenylphenyl)pyrimidine-4,6-diamine

Systemtic Name: N4-(5-bromanylpyridin-2-yl)-5-nitro-N6-(4-phenyldiazenylphenyl)pyrimidine-4,6-diamine Openeye Name: N4-(5-bromo-2-pyridyl)-5-nitro-N6-(4-phenylazophenyl)pyrimidine-4,6-diamine CAS Name: N4-(5-bromo-2-pyridinyl)-5-nitro-N6-(4-phenyldiazenylphenyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-(5-bromopyridin-2-yl)-5-nitro-6-N-(4-phenyldiazenylphenyl)pyrimidine-4,6-diamine Traditional Name: (5-bromo-2-pyridyl)-[5-nitro-6-(4-phenylazoanilino)pyrimidin-4-yl]amine Formula: C21H15BrN8O2 MolecularWeight: 491.3002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N=NC2=CC=C(C=C2)NC3=C(C(=NC=N3)NC4=NC=C(C=C4)Br)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N=NC2=CC=C(C=C2)NC3=C(C(=NC=N3)NC4=NC=C(C=C4)Br)[N+](=O)[O-]

InChI

InChI=1S/C21H15BrN8O2/c22-14-6-11-18(23-12-14)27-21-19(30(31)32)20(24-13-25-21)26-15-7-9-17(10-8-15)29-28-16-4-2-1-3-5-16/h1-13H,(H2,23,24,25,26,27)