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

Systemtic Name: 3-[[4-azanyl-6-(2-hydroxyethylamino)-5-nitro-pyrimidin-2-yl]amino]propyl-diethyl-azanium Openeye Name: 3-[[4-amino-6-(2-hydroxyethylamino)-5-nitro-pyrimidin-2-yl]amino]propyl-diethyl-ammonium CAS Name: 3-[[4-amino-6-(2-hydroxyethylamino)-5-nitro-2-pyrimidinyl]amino]propyl-diethylammonium IUPAC Name: 3-[[4-amino-6-(2-hydroxyethylamino)-5-nitropyrimidin-2-yl]amino]propyl-diethylazanium Traditional Name: 3-[[4-amino-6-(2-hydroxyethylamino)-5-nitro-pyrimidin-2-yl]amino]propyl-diethyl-ammonium Formula: C13H26N7O3+ MolecularWeight: 328.39064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H25N7O3/c1-3-19(4-2)8-5-6-16-13-17-11(14)10(20(22)23)12(18-13)15-7-9-21/h21H,3-9H2,1-2H3,(H4,14,15,16,17,18)/p+1