N4-ethyl-N6-(4-methylpiperazin-1-yl)-5-nitro-N4-phenyl-pyrimidine-4,6-diamine

Systemtic Name: N4-ethyl-N6-(4-methylpiperazin-1-yl)-5-nitro-N4-phenyl-pyrimidine-4,6-diamine Openeye Name: N4-ethyl-N6-(4-methylpiperazin-1-yl)-5-nitro-N4-phenyl-pyrimidine-4,6-diamine CAS Name: N4-ethyl-N6-(4-methyl-1-piperazinyl)-5-nitro-N4-phenylpyrimidine-4,6-diamine IUPAC Name: 4-N-ethyl-6-N-(4-methylpiperazin-1-yl)-5-nitro-4-N-phenylpyrimidine-4,6-diamine Traditional Name: ethyl-[6-[(4-methylpiperazino)amino]-5-nitro-pyrimidin-4-yl]-phenyl-amine Formula: C17H23N7O2 MolecularWeight: 357.41022

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC=C1)C2=NC=NC(=C2[N+](=O)[O-])NN3CCN(CC3)C

Isomeric SMILES

CCN(C1=CC=CC=C1)C2=NC=NC(=C2[N+](=O)[O-])NN3CCN(CC3)C

InChI

InChI=1S/C17H23N7O2/c1-3-23(14-7-5-4-6-8-14)17-15(24(25)26)16(18-13-19-17)20-22-11-9-21(2)10-12-22/h4-8,13H,3,9-12H2,1-2H3,(H,18,19,20)