N2-(4-chlorophenyl)-N4-(2-imidazol-1-ylethyl)-5-nitro-pyrimidine-2,4-diamine

Systemtic Name: N2-(4-chlorophenyl)-N4-(2-imidazol-1-ylethyl)-5-nitro-pyrimidine-2,4-diamine Openeye Name: N2-(4-chlorophenyl)-N4-(2-imidazol-1-ylethyl)-5-nitro-pyrimidine-2,4-diamine CAS Name: N2-(4-chlorophenyl)-N4-[2-(1-imidazolyl)ethyl]-5-nitropyrimidine-2,4-diamine IUPAC Name: 2-N-(4-chlorophenyl)-4-N-(2-imidazol-1-ylethyl)-5-nitropyrimidine-2,4-diamine Traditional Name: [2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]-(2-imidazol-1-ylethyl)amine Formula: C15H14ClN7O2 MolecularWeight: 359.77036

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC2=NC=C(C(=N2)NCCN3C=CN=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1NC2=NC=C(C(=N2)NCCN3C=CN=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C15H14ClN7O2/c16-11-1-3-12(4-2-11)20-15-19-9-13(23(24)25)14(21-15)18-6-8-22-7-5-17-10-22/h1-5,7,9-10H,6,8H2,(H2,18,19,20,21)