N,6-dimethyl-5-nitro-N-phenyl-2-piperazin-4-ium-1-yl-pyrimidin-4-amine

Systemtic Name: N,6-dimethyl-5-nitro-N-phenyl-2-piperazin-4-ium-1-yl-pyrimidin-4-amine Openeye Name: N,6-dimethyl-5-nitro-N-phenyl-2-piperazin-4-ium-1-yl-pyrimidin-4-amine CAS Name: N,6-dimethyl-5-nitro-N-phenyl-2-(1-piperazin-4-iumyl)-4-pyrimidinamine IUPAC Name: N,6-dimethyl-5-nitro-N-phenyl-2-piperazin-4-ium-1-ylpyrimidin-4-amine Traditional Name: methyl-(6-methyl-5-nitro-2-piperazin-4-ium-1-yl-pyrimidin-4-yl)-phenyl-amine Formula: C16H21N6O2+ MolecularWeight: 329.37694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)N2CC[NH2+]CC2)N(C)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NC(=N1)N2CC[NH2+]CC2)N(C)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H20N6O2/c1-12-14(22(23)24)15(20(2)13-6-4-3-5-7-13)19-16(18-12)21-10-8-17-9-11-21/h3-7,17H,8-11H2,1-2H3/p+1