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

Systemtic Name: N4-ethyl-N6-(3-imidazol-1-ylpropyl)-N4-(3-methylphenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-ethyl-N6-(3-imidazol-1-ylpropyl)-N4-(m-tolyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-ethyl-N6-[3-(1-imidazolyl)propyl]-N4-(3-methylphenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-ethyl-6-N-(3-imidazol-1-ylpropyl)-4-N-(3-methylphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: ethyl-[6-(3-imidazol-1-ylpropylamino)-5-nitro-pyrimidin-4-yl]-(m-tolyl)amine Formula: C19H23N7O2 MolecularWeight: 381.43162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N7O2/c1-3-25(16-7-4-6-15(2)12-16)19-17(26(27)28)18(22-13-23-19)21-8-5-10-24-11-9-20-14-24/h4,6-7,9,11-14H,3,5,8,10H2,1-2H3,(H,21,22,23)