N4-(3-chlorophenyl)-5-nitro-N6-(4-phenoxyphenyl)pyrimidine-4,6-diamine

Systemtic Name: N4-(3-chlorophenyl)-5-nitro-N6-(4-phenoxyphenyl)pyrimidine-4,6-diamine Openeye Name: N4-(3-chlorophenyl)-5-nitro-N6-(4-phenoxyphenyl)pyrimidine-4,6-diamine CAS Name: N4-(3-chlorophenyl)-5-nitro-N6-(4-phenoxyphenyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-(3-chlorophenyl)-5-nitro-6-N-(4-phenoxyphenyl)pyrimidine-4,6-diamine Traditional Name: [6-(3-chloroanilino)-5-nitro-pyrimidin-4-yl]-(4-phenoxyphenyl)amine Formula: C22H16ClN5O3 MolecularWeight: 433.84714

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=C(C=C2)NC3=C(C(=NC=N3)NC4=CC(=CC=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)NC3=C(C(=NC=N3)NC4=CC(=CC=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C22H16ClN5O3/c23-15-5-4-6-17(13-15)27-22-20(28(29)30)21(24-14-25-22)26-16-9-11-19(12-10-16)31-18-7-2-1-3-8-18/h1-14H,(H2,24,25,26,27)