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

Systemtic Name: N2-[(4-methylphenyl)methyl]-6-(4-methylpiperazin-4-ium-1-yl)-5-nitro-pyrimidine-2,4-diamine Openeye Name: 6-(4-methylpiperazin-4-ium-1-yl)-5-nitro-N2-(p-tolylmethyl)pyrimidine-2,4-diamine CAS Name: N2-[(4-methylphenyl)methyl]-6-(4-methyl-1-piperazin-4-iumyl)-5-nitropyrimidine-2,4-diamine IUPAC Name: 2-N-[(4-methylphenyl)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-methylbenzyl)amine Formula: C17H24N7O2+ MolecularWeight: 358.41816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC2=NC(=C(C(=N2)N)[N+](=O)[O-])N3CC[NH+](CC3)C

Isomeric SMILES

CC1=CC=C(C=C1)CNC2=NC(=C(C(=N2)N)[N+](=O)[O-])N3CC[NH+](CC3)C

InChI

InChI=1S/C17H23N7O2/c1-12-3-5-13(6-4-12)11-19-17-20-15(18)14(24(25)26)16(21-17)23-9-7-22(2)8-10-23/h3-6H,7-11H2,1-2H3,(H3,18,19,20,21)/p+1