N-ethyl-6-(4-methylpiperazin-1-yl)-5-nitro-N-phenyl-pyrimidin-4-amine

Systemtic Name: N-ethyl-6-(4-methylpiperazin-1-yl)-5-nitro-N-phenyl-pyrimidin-4-amine Openeye Name: N-ethyl-6-(4-methylpiperazin-1-yl)-5-nitro-N-phenyl-pyrimidin-4-amine CAS Name: N-ethyl-6-(4-methyl-1-piperazinyl)-5-nitro-N-phenyl-4-pyrimidinamine IUPAC Name: N-ethyl-6-(4-methylpiperazin-1-yl)-5-nitro-N-phenylpyrimidin-4-amine Traditional Name: ethyl-[6-(4-methylpiperazino)-5-nitro-pyrimidin-4-yl]-phenyl-amine Formula: C17H22N6O2 MolecularWeight: 342.39558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC=C1)C2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C

Isomeric SMILES

CCN(C1=CC=CC=C1)C2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C

InChI

InChI=1S/C17H22N6O2/c1-3-22(14-7-5-4-6-8-14)17-15(23(24)25)16(18-13-19-17)21-11-9-20(2)10-12-21/h4-8,13H,3,9-12H2,1-2H3