N6-(3-imidazol-1-ylpropyl)-N4-methyl-5-nitro-N4-phenyl-pyrimidine-4,6-diamine

Systemtic Name: N6-(3-imidazol-1-ylpropyl)-N4-methyl-5-nitro-N4-phenyl-pyrimidine-4,6-diamine Openeye Name: N6-(3-imidazol-1-ylpropyl)-N4-methyl-5-nitro-N4-phenyl-pyrimidine-4,6-diamine CAS Name: N6-[3-(1-imidazolyl)propyl]-N4-methyl-5-nitro-N4-phenylpyrimidine-4,6-diamine IUPAC Name: 6-N-(3-imidazol-1-ylpropyl)-4-N-methyl-5-nitro-4-N-phenylpyrimidine-4,6-diamine Traditional Name: [6-(3-imidazol-1-ylpropylamino)-5-nitro-pyrimidin-4-yl]-methyl-phenyl-amine Formula: C17H19N7O2 MolecularWeight: 353.37846

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1)C2=NC=NC(=C2[N+](=O)[O-])NCCCN3C=CN=C3

Isomeric SMILES

CN(C1=CC=CC=C1)C2=NC=NC(=C2[N+](=O)[O-])NCCCN3C=CN=C3

InChI

InChI=1S/C17H19N7O2/c1-22(14-6-3-2-4-7-14)17-15(24(25)26)16(20-12-21-17)19-8-5-10-23-11-9-18-13-23/h2-4,6-7,9,11-13H,5,8,10H2,1H3,(H,19,20,21)