N4-(2-ethylphenyl)-5-nitro-N6-(4-phenoxyphenyl)pyrimidine-4,6-diamine

Systemtic Name: N4-(2-ethylphenyl)-5-nitro-N6-(4-phenoxyphenyl)pyrimidine-4,6-diamine Openeye Name: N4-(2-ethylphenyl)-5-nitro-N6-(4-phenoxyphenyl)pyrimidine-4,6-diamine CAS Name: N4-(2-ethylphenyl)-5-nitro-N6-(4-phenoxyphenyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-(2-ethylphenyl)-5-nitro-6-N-(4-phenoxyphenyl)pyrimidine-4,6-diamine Traditional Name: [6-(2-ethylanilino)-5-nitro-pyrimidin-4-yl]-(4-phenoxyphenyl)amine Formula: C24H21N5O3 MolecularWeight: 427.45524

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

CCC1=CC=CC=C1NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C24H21N5O3/c1-2-17-8-6-7-11-21(17)28-24-22(29(30)31)23(25-16-26-24)27-18-12-14-20(15-13-18)32-19-9-4-3-5-10-19/h3-16H,2H2,1H3,(H2,25,26,27,28)