5-nitro-N4,N6,2-triphenyl-pyrimidine-4,6-diamine

Systemtic Name: 5-nitro-N4,N6,2-triphenyl-pyrimidine-4,6-diamine Openeye Name: 5-nitro-N4,N6,2-triphenyl-pyrimidine-4,6-diamine CAS Name: 5-nitro-N4,N6,2-triphenylpyrimidine-4,6-diamine IUPAC Name: 5-nitro-4-N,6-N,2-triphenylpyrimidine-4,6-diamine Traditional Name: (6-anilino-5-nitro-2-phenyl-pyrimidin-4-yl)-phenyl-amine Formula: C22H17N5O2 MolecularWeight: 383.40268

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=C(C(=N2)NC3=CC=CC=C3)[N+](=O)[O-])NC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=C(C(=N2)NC3=CC=CC=C3)[N+](=O)[O-])NC4=CC=CC=C4

InChI

InChI=1S/C22H17N5O2/c28-27(29)19-21(23-17-12-6-2-7-13-17)25-20(16-10-4-1-5-11-16)26-22(19)24-18-14-8-3-9-15-18/h1-15H,(H2,23,24,25,26)