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

Systemtic Name: 3-[(4-azanyl-5-nitro-6-piperidin-1-yl-pyrimidin-2-yl)amino]propyl-diethyl-azanium Openeye Name: 3-[[4-amino-5-nitro-6-(1-piperidyl)pyrimidin-2-yl]amino]propyl-diethyl-ammonium CAS Name: 3-[[4-amino-5-nitro-6-(1-piperidinyl)-2-pyrimidinyl]amino]propyl-diethylammonium IUPAC Name: 3-[(4-amino-5-nitro-6-piperidin-1-ylpyrimidin-2-yl)amino]propyl-diethylazanium Traditional Name: 3-[(4-amino-5-nitro-6-piperidino-pyrimidin-2-yl)amino]propyl-diethyl-ammonium Formula: C16H30N7O2+ MolecularWeight: 352.4551

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCNC1=NC(=C(C(=N1)N)[N+](=O)[O-])N2CCCCC2

Isomeric SMILES

CC[NH+](CC)CCCNC1=NC(=C(C(=N1)N)[N+](=O)[O-])N2CCCCC2

InChI

InChI=1S/C16H29N7O2/c1-3-21(4-2)10-8-9-18-16-19-14(17)13(23(24)25)15(20-16)22-11-6-5-7-12-22/h3-12H2,1-2H3,(H3,17,18,19,20)/p+1