N4-ethyl-5-nitro-N4,N6-diphenyl-pyrimidine-4,6-diamine

Systemtic Name: N4-ethyl-5-nitro-N4,N6-diphenyl-pyrimidine-4,6-diamine Openeye Name: N4-ethyl-5-nitro-N4,N6-diphenyl-pyrimidine-4,6-diamine CAS Name: N4-ethyl-5-nitro-N4,N6-diphenylpyrimidine-4,6-diamine IUPAC Name: 4-N-ethyl-5-nitro-4-N,6-N-diphenylpyrimidine-4,6-diamine Traditional Name: (6-anilino-5-nitro-pyrimidin-4-yl)-ethyl-phenyl-amine Formula: C18H17N5O2 MolecularWeight: 335.35988

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N5O2/c1-2-22(15-11-7-4-8-12-15)18-16(23(24)25)17(19-13-20-18)21-14-9-5-3-6-10-14/h3-13H,2H2,1H3,(H,19,20,21)