1-[4-[5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone

Systemtic Name: 1-[4-[5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone Openeye Name: 1-[4-[6-(4-benzylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]piperazin-1-yl]ethanone CAS Name: 1-[4-[5-nitro-6-[4-(phenylmethyl)-1-piperazinyl]-4-pyrimidinyl]-1-piperazinyl]ethanone IUPAC Name: 1-[4-[6-(4-benzylpiperazin-1-yl)-5-nitropyrimidin-4-yl]piperazin-1-yl]ethanone Traditional Name: 1-[4-[6-(4-benzylpiperazino)-5-nitro-pyrimidin-4-yl]piperazino]ethanone Formula: C21H27N7O3 MolecularWeight: 425.48418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=C(C(=NC=N2)N3CCN(CC3)CC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=C(C(=NC=N2)N3CCN(CC3)CC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H27N7O3/c1-17(29)25-11-13-27(14-12-25)21-19(28(30)31)20(22-16-23-21)26-9-7-24(8-10-26)15-18-5-3-2-4-6-18/h2-6,16H,7-15H2,1H3