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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CCNC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C24H21N5O3/c30-29(31)22-23(25-16-15-18-7-3-1-4-8-18)26-17-27-24(22)28-19-11-13-21(14-12-19)32-20-9-5-2-6-10-20/h1-14,17H,15-16H2,(H2,25,26,27,28)