N-ethyl-5-nitro-N-phenyl-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-4-amine

Systemtic Name: N-ethyl-5-nitro-N-phenyl-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-4-amine Openeye Name: 6-(4-benzylpiperazin-1-yl)-N-ethyl-5-nitro-N-phenyl-pyrimidin-4-amine CAS Name: N-ethyl-5-nitro-N-phenyl-6-[4-(phenylmethyl)-1-piperazinyl]-4-pyrimidinamine IUPAC Name: 6-(4-benzylpiperazin-1-yl)-N-ethyl-5-nitro-N-phenylpyrimidin-4-amine Traditional Name: [6-(4-benzylpiperazino)-5-nitro-pyrimidin-4-yl]-ethyl-phenyl-amine Formula: C23H26N6O2 MolecularWeight: 418.49154

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC=C1)C2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCN(C1=CC=CC=C1)C2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H26N6O2/c1-2-28(20-11-7-4-8-12-20)23-21(29(30)31)22(24-18-25-23)27-15-13-26(14-16-27)17-19-9-5-3-6-10-19/h3-12,18H,2,13-17H2,1H3