N2-(4-chlorophenyl)-N4-(3-imidazol-1-ylpropyl)-5-nitro-pyrimidine-2,4-diamine

Systemtic Name: N2-(4-chlorophenyl)-N4-(3-imidazol-1-ylpropyl)-5-nitro-pyrimidine-2,4-diamine Openeye Name: N2-(4-chlorophenyl)-N4-(3-imidazol-1-ylpropyl)-5-nitro-pyrimidine-2,4-diamine CAS Name: N2-(4-chlorophenyl)-N4-[3-(1-imidazolyl)propyl]-5-nitropyrimidine-2,4-diamine IUPAC Name: 2-N-(4-chlorophenyl)-4-N-(3-imidazol-1-ylpropyl)-5-nitropyrimidine-2,4-diamine Traditional Name: [2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]-(3-imidazol-1-ylpropyl)amine Formula: C16H16ClN7O2 MolecularWeight: 373.79694

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC2=NC=C(C(=N2)NCCCN3C=CN=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1NC2=NC=C(C(=N2)NCCCN3C=CN=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C16H16ClN7O2/c17-12-2-4-13(5-3-12)21-16-20-10-14(24(25)26)15(22-16)19-6-1-8-23-9-7-18-11-23/h2-5,7,9-11H,1,6,8H2,(H2,19,20,21,22)