6-(benzimidazol-1-yl)-5-nitro-N-(4-phenoxyphenyl)pyrimidin-4-amine

Systemtic Name: 6-(benzimidazol-1-yl)-5-nitro-N-(4-phenoxyphenyl)pyrimidin-4-amine Openeye Name: 6-(benzimidazol-1-yl)-5-nitro-N-(4-phenoxyphenyl)pyrimidin-4-amine CAS Name: 6-(1-benzimidazolyl)-5-nitro-N-(4-phenoxyphenyl)-4-pyrimidinamine IUPAC Name: 6-(benzimidazol-1-yl)-5-nitro-N-(4-phenoxyphenyl)pyrimidin-4-amine Traditional Name: [6-(benzimidazol-1-yl)-5-nitro-pyrimidin-4-yl]-(4-phenoxyphenyl)amine Formula: C23H16N6O3 MolecularWeight: 424.41154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=C(C=C2)NC3=NC=NC(=C3[N+](=O)[O-])N4C=NC5=CC=CC=C54

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)NC3=NC=NC(=C3[N+](=O)[O-])N4C=NC5=CC=CC=C54

InChI

InChI=1S/C23H16N6O3/c30-29(31)21-22(24-14-25-23(21)28-15-26-19-8-4-5-9-20(19)28)27-16-10-12-18(13-11-16)32-17-6-2-1-3-7-17/h1-15H,(H,24,25,27)