N6-(4-ethoxyphenyl)-5-nitro-N4-(4-phenoxyphenyl)pyrimidine-4,6-diamine

Systemtic Name: N6-(4-ethoxyphenyl)-5-nitro-N4-(4-phenoxyphenyl)pyrimidine-4,6-diamine Openeye Name: N6-(4-ethoxyphenyl)-5-nitro-N4-(4-phenoxyphenyl)pyrimidine-4,6-diamine CAS Name: N6-(4-ethoxyphenyl)-5-nitro-N4-(4-phenoxyphenyl)pyrimidine-4,6-diamine IUPAC Name: 6-N-(4-ethoxyphenyl)-5-nitro-4-N-(4-phenoxyphenyl)pyrimidine-4,6-diamine Traditional Name: [5-nitro-6-(4-phenoxyanilino)pyrimidin-4-yl]-p-phenetyl-amine Formula: C24H21N5O4 MolecularWeight: 443.45464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C24H21N5O4/c1-2-32-19-12-8-17(9-13-19)27-23-22(29(30)31)24(26-16-25-23)28-18-10-14-21(15-11-18)33-20-6-4-3-5-7-20/h3-16H,2H2,1H3,(H2,25,26,27,28)