N2-[(4-chlorophenyl)methyl]-6-(4-methylpiperazin-4-ium-1-yl)-5-nitro-pyrimidine-2,4-diamine

Systemtic Name: N2-[(4-chlorophenyl)methyl]-6-(4-methylpiperazin-4-ium-1-yl)-5-nitro-pyrimidine-2,4-diamine Openeye Name: N2-[(4-chlorophenyl)methyl]-6-(4-methylpiperazin-4-ium-1-yl)-5-nitro-pyrimidine-2,4-diamine CAS Name: N2-[(4-chlorophenyl)methyl]-6-(4-methyl-1-piperazin-4-iumyl)-5-nitropyrimidine-2,4-diamine IUPAC Name: 2-N-[(4-chlorophenyl)methyl]-6-(4-methylpiperazin-4-ium-1-yl)-5-nitropyrimidine-2,4-diamine Traditional Name: [4-amino-6-(4-methylpiperazin-4-ium-1-yl)-5-nitro-pyrimidin-2-yl]-(4-chlorobenzyl)amine Formula: C16H21ClN7O2+ MolecularWeight: 378.83664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C(=NC(=N2)NCC3=CC=C(C=C3)Cl)N)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C(=NC(=N2)NCC3=CC=C(C=C3)Cl)N)[N+](=O)[O-]

InChI

InChI=1S/C16H20ClN7O2/c1-22-6-8-23(9-7-22)15-13(24(25)26)14(18)20-16(21-15)19-10-11-2-4-12(17)5-3-11/h2-5H,6-10H2,1H3,(H3,18,19,20,21)/p+1