N4-(2-ethylphenyl)-N6-(3-imidazol-1-ylpropyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-(2-ethylphenyl)-N6-(3-imidazol-1-ylpropyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(2-ethylphenyl)-N6-(3-imidazol-1-ylpropyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(2-ethylphenyl)-N6-[3-(1-imidazolyl)propyl]-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(2-ethylphenyl)-6-N-(3-imidazol-1-ylpropyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(2-ethylanilino)-5-nitro-pyrimidin-4-yl]-(3-imidazol-1-ylpropyl)amine Formula: C18H21N7O2 MolecularWeight: 367.40504

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC2=C(C(=NC=N2)NCCCN3C=CN=C3)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=CC=C1NC2=C(C(=NC=N2)NCCCN3C=CN=C3)[N+](=O)[O-]

InChI

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