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

Systemtic Name: 3-[[4-azanyl-6-(2-hydroxyethylamino)-5-nitro-pyrimidin-2-yl]amino]propyl-dimethyl-azanium Openeye Name: 3-[[4-amino-6-(2-hydroxyethylamino)-5-nitro-pyrimidin-2-yl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[4-amino-6-(2-hydroxyethylamino)-5-nitro-2-pyrimidinyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[4-amino-6-(2-hydroxyethylamino)-5-nitropyrimidin-2-yl]amino]propyl-dimethylazanium Traditional Name: 3-[[4-amino-6-(2-hydroxyethylamino)-5-nitro-pyrimidin-2-yl]amino]propyl-dimethyl-ammonium Formula: C11H22N7O3+ MolecularWeight: 300.33748

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H21N7O3/c1-17(2)6-3-4-14-11-15-9(12)8(18(20)21)10(16-11)13-5-7-19/h19H,3-7H2,1-2H3,(H4,12,13,14,15,16)/p+1