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

Systemtic Name: N4-ethyl-N6-(3-imidazol-1-ylpropyl)-5-nitro-N4-phenyl-pyrimidine-4,6-diamine Openeye Name: N4-ethyl-N6-(3-imidazol-1-ylpropyl)-5-nitro-N4-phenyl-pyrimidine-4,6-diamine CAS Name: N4-ethyl-N6-[3-(1-imidazolyl)propyl]-5-nitro-N4-phenylpyrimidine-4,6-diamine IUPAC Name: 4-N-ethyl-6-N-(3-imidazol-1-ylpropyl)-5-nitro-4-N-phenylpyrimidine-4,6-diamine Traditional Name: ethyl-[6-(3-imidazol-1-ylpropylamino)-5-nitro-pyrimidin-4-yl]-phenyl-amine Formula: C18H21N7O2 MolecularWeight: 367.40504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N7O2/c1-2-24(15-7-4-3-5-8-15)18-16(25(26)27)17(21-13-22-18)20-9-6-11-23-12-10-19-14-23/h3-5,7-8,10,12-14H,2,6,9,11H2,1H3,(H,20,21,22)