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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC=C(C=C3)OC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC=C(C=C3)OC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H19N5O3/c1-16-7-9-17(10-8-16)26-22-21(28(29)30)23(25-15-24-22)27-18-11-13-20(14-12-18)31-19-5-3-2-4-6-19/h2-15H,1H3,(H2,24,25,26,27)