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

Systemtic Name: N4-(4-bromophenyl)-5-nitro-N6-(4-phenoxyphenyl)pyrimidine-4,6-diamine Openeye Name: N4-(4-bromophenyl)-5-nitro-N6-(4-phenoxyphenyl)pyrimidine-4,6-diamine CAS Name: N4-(4-bromophenyl)-5-nitro-N6-(4-phenoxyphenyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-(4-bromophenyl)-5-nitro-6-N-(4-phenoxyphenyl)pyrimidine-4,6-diamine Traditional Name: [6-(4-bromoanilino)-5-nitro-pyrimidin-4-yl]-(4-phenoxyphenyl)amine Formula: C22H16BrN5O3 MolecularWeight: 478.29814

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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=C(C=C4)Br)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C22H16BrN5O3/c23-15-6-8-16(9-7-15)26-21-20(28(29)30)22(25-14-24-21)27-17-10-12-19(13-11-17)31-18-4-2-1-3-5-18/h1-14H,(H2,24,25,26,27)