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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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