N'-methyl-N-[5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]-N'-phenyl-propane-1,3-diamine

Systemtic Name: N'-methyl-N-[5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]-N'-phenyl-propane-1,3-diamine Openeye Name: N'-methyl-N-[5-nitro-6-[4-(2-pyridyl)piperazin-1-yl]pyrimidin-4-yl]-N'-phenyl-propane-1,3-diamine CAS Name: N'-methyl-N-[5-nitro-6-[4-(2-pyridinyl)-1-piperazinyl]-4-pyrimidinyl]-N'-phenylpropane-1,3-diamine IUPAC Name: N'-methyl-N-[5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]-N'-phenylpropane-1,3-diamine Traditional Name: methyl-[3-[[5-nitro-6-[4-(2-pyridyl)piperazino]pyrimidin-4-yl]amino]propyl]-phenyl-amine Formula: C23H28N8O2 MolecularWeight: 448.52082

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCNC1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)C3=CC=CC=N3)C4=CC=CC=C4

Isomeric SMILES

CN(CCCNC1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)C3=CC=CC=N3)C4=CC=CC=C4

InChI

InChI=1S/C23H28N8O2/c1-28(19-8-3-2-4-9-19)13-7-12-25-22-21(31(32)33)23(27-18-26-22)30-16-14-29(15-17-30)20-10-5-6-11-24-20/h2-6,8-11,18H,7,12-17H2,1H3,(H,25,26,27)