N',N'-dibutyl-N-[5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]ethane-1,2-diamine

Systemtic Name: N',N'-dibutyl-N-[5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]ethane-1,2-diamine Openeye Name: N',N'-dibutyl-N-[5-nitro-6-[4-(2-pyridyl)piperazin-1-yl]pyrimidin-4-yl]ethane-1,2-diamine CAS Name: N',N'-dibutyl-N-[5-nitro-6-[4-(2-pyridinyl)-1-piperazinyl]-4-pyrimidinyl]ethane-1,2-diamine IUPAC Name: N',N'-dibutyl-N-[5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]ethane-1,2-diamine Traditional Name: dibutyl-[2-[[5-nitro-6-[4-(2-pyridyl)piperazino]pyrimidin-4-yl]amino]ethyl]amine Formula: C23H36N8O2 MolecularWeight: 456.58434

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)CCNC1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)C3=CC=CC=N3

Isomeric SMILES

CCCCN(CCCC)CCNC1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)C3=CC=CC=N3

InChI

InChI=1S/C23H36N8O2/c1-3-5-12-28(13-6-4-2)14-11-25-22-21(31(32)33)23(27-19-26-22)30-17-15-29(16-18-30)20-9-7-8-10-24-20/h7-10,19H,3-6,11-18H2,1-2H3,(H,25,26,27)