5-nitro-N6-(4-phenoxyphenyl)-N4-(1-phenylethyl)pyrimidine-4,6-diamine

Systemtic Name: 5-nitro-N6-(4-phenoxyphenyl)-N4-(1-phenylethyl)pyrimidine-4,6-diamine Openeye Name: 5-nitro-N6-(4-phenoxyphenyl)-N4-(1-phenylethyl)pyrimidine-4,6-diamine CAS Name: 5-nitro-N6-(4-phenoxyphenyl)-N4-(1-phenylethyl)pyrimidine-4,6-diamine IUPAC Name: 5-nitro-6-N-(4-phenoxyphenyl)-4-N-(1-phenylethyl)pyrimidine-4,6-diamine Traditional Name: [5-nitro-6-(4-phenoxyanilino)pyrimidin-4-yl]-(1-phenylethyl)amine Formula: C24H21N5O3 MolecularWeight: 427.45524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H21N5O3/c1-17(18-8-4-2-5-9-18)27-23-22(29(30)31)24(26-16-25-23)28-19-12-14-21(15-13-19)32-20-10-6-3-7-11-20/h2-17H,1H3,(H2,25,26,27,28)