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

Systemtic Name: 5-nitro-N4-(4-phenoxyphenyl)-N6-phenyl-pyrimidine-4,6-diamine Openeye Name: 5-nitro-N4-(4-phenoxyphenyl)-N6-phenyl-pyrimidine-4,6-diamine CAS Name: 5-nitro-N4-(4-phenoxyphenyl)-N6-phenylpyrimidine-4,6-diamine IUPAC Name: 5-nitro-4-N-(4-phenoxyphenyl)-6-N-phenylpyrimidine-4,6-diamine Traditional Name: (6-anilino-5-nitro-pyrimidin-4-yl)-(4-phenoxyphenyl)amine Formula: C22H17N5O3 MolecularWeight: 399.40208

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H17N5O3/c28-27(29)20-21(25-16-7-3-1-4-8-16)23-15-24-22(20)26-17-11-13-19(14-12-17)30-18-9-5-2-6-10-18/h1-15H,(H2,23,24,25,26)