3-[[4-azanyl-6-(4-methylpiperazin-4-ium-1-yl)-5-nitro-pyrimidin-2-yl]amino]propyl-diethyl-azanium

Systemtic Name: 3-[[4-azanyl-6-(4-methylpiperazin-4-ium-1-yl)-5-nitro-pyrimidin-2-yl]amino]propyl-diethyl-azanium Openeye Name: 3-[[4-amino-6-(4-methylpiperazin-4-ium-1-yl)-5-nitro-pyrimidin-2-yl]amino]propyl-diethyl-ammonium CAS Name: 3-[[4-amino-6-(4-methyl-1-piperazin-4-iumyl)-5-nitro-2-pyrimidinyl]amino]propyl-diethylammonium IUPAC Name: 3-[[4-amino-6-(4-methylpiperazin-4-ium-1-yl)-5-nitropyrimidin-2-yl]amino]propyl-diethylazanium Traditional Name: 3-[[4-amino-6-(4-methylpiperazin-4-ium-1-yl)-5-nitro-pyrimidin-2-yl]amino]propyl-diethyl-ammonium Formula: C16H32N8O2+2 MolecularWeight: 368.47768

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCNC1=NC(=C(C(=N1)N)[N+](=O)[O-])N2CC[NH+](CC2)C

Isomeric SMILES

CC[NH+](CC)CCCNC1=NC(=C(C(=N1)N)[N+](=O)[O-])N2CC[NH+](CC2)C

InChI

InChI=1S/C16H30N8O2/c1-4-22(5-2)8-6-7-18-16-19-14(17)13(24(25)26)15(20-16)23-11-9-21(3)10-12-23/h4-12H2,1-3H3,(H3,17,18,19,20)/p+2