N4-[(4-chlorophenyl)methyl]-N6-(3-imidazol-1-ylpropyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-[(4-chlorophenyl)methyl]-N6-(3-imidazol-1-ylpropyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-[(4-chlorophenyl)methyl]-N6-(3-imidazol-1-ylpropyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-[(4-chlorophenyl)methyl]-N6-[3-(1-imidazolyl)propyl]-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-[(4-chlorophenyl)methyl]-6-N-(3-imidazol-1-ylpropyl)-5-nitropyrimidine-4,6-diamine Traditional Name: (4-chlorobenzyl)-[6-(3-imidazol-1-ylpropylamino)-5-nitro-pyrimidin-4-yl]amine Formula: C17H18ClN7O2 MolecularWeight: 387.82352

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC2=C(C(=NC=N2)NCCCN3C=CN=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1CNC2=C(C(=NC=N2)NCCCN3C=CN=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H18ClN7O2/c18-14-4-2-13(3-5-14)10-21-17-15(25(26)27)16(22-11-23-17)20-6-1-8-24-9-7-19-12-24/h2-5,7,9,11-12H,1,6,8,10H2,(H2,20,21,22,23)