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

Systemtic Name: N4-methyl-5-nitro-N6-(4-phenoxyphenyl)-N4-phenyl-pyrimidine-4,6-diamine Openeye Name: N4-methyl-5-nitro-N6-(4-phenoxyphenyl)-N4-phenyl-pyrimidine-4,6-diamine CAS Name: N4-methyl-5-nitro-N6-(4-phenoxyphenyl)-N4-phenylpyrimidine-4,6-diamine IUPAC Name: 4-N-methyl-5-nitro-6-N-(4-phenoxyphenyl)-4-N-phenylpyrimidine-4,6-diamine Traditional Name: methyl-[5-nitro-6-(4-phenoxyanilino)pyrimidin-4-yl]-phenyl-amine Formula: C23H19N5O3 MolecularWeight: 413.42866

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H19N5O3/c1-27(18-8-4-2-5-9-18)23-21(28(29)30)22(24-16-25-23)26-17-12-14-20(15-13-17)31-19-10-6-3-7-11-19/h2-16H,1H3,(H,24,25,26)