5-nitro-N2,N4-diphenyl-pyrimidine-2,4-diamine

Systemtic Name: 5-nitro-N2,N4-diphenyl-pyrimidine-2,4-diamine Openeye Name: 5-nitro-N2,N4-diphenyl-pyrimidine-2,4-diamine CAS Name: 5-nitro-N2,N4-diphenylpyrimidine-2,4-diamine IUPAC Name: 5-nitro-2-N,4-N-diphenylpyrimidine-2,4-diamine Traditional Name: (2-anilino-5-nitro-pyrimidin-4-yl)-phenyl-amine Formula: C16H13N5O2 MolecularWeight: 307.30672

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=NC(=NC=C2[N+](=O)[O-])NC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)NC2=NC(=NC=C2[N+](=O)[O-])NC3=CC=CC=C3

InChI

InChI=1S/C16H13N5O2/c22-21(23)14-11-17-16(19-13-9-5-2-6-10-13)20-15(14)18-12-7-3-1-4-8-12/h1-11H,(H2,17,18,19,20)