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

Systemtic Name: N'-methyl-N-[5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-4-yl]-N'-phenyl-propane-1,3-diamine Openeye Name: N-[6-(4-benzylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]-N'-methyl-N'-phenyl-propane-1,3-diamine CAS Name: N'-methyl-N-[5-nitro-6-[4-(phenylmethyl)-1-piperazinyl]-4-pyrimidinyl]-N'-phenylpropane-1,3-diamine IUPAC Name: N-[6-(4-benzylpiperazin-1-yl)-5-nitropyrimidin-4-yl]-N'-methyl-N'-phenylpropane-1,3-diamine Traditional Name: 3-[[6-(4-benzylpiperazino)-5-nitro-pyrimidin-4-yl]amino]propyl-methyl-phenyl-amine Formula: C25H31N7O2 MolecularWeight: 461.55934

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCNC1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)CC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CN(CCCNC1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)CC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H31N7O2/c1-29(22-11-6-3-7-12-22)14-8-13-26-24-23(32(33)34)25(28-20-27-24)31-17-15-30(16-18-31)19-21-9-4-2-5-10-21/h2-7,9-12,20H,8,13-19H2,1H3,(H,26,27,28)