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

Systemtic Name: 3-[[4-azanyl-6-(cyclohexylamino)-5-nitro-pyrimidin-2-yl]amino]propyl-dimethyl-azanium Openeye Name: 3-[[4-amino-6-(cyclohexylamino)-5-nitro-pyrimidin-2-yl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[4-amino-6-(cyclohexylamino)-5-nitro-2-pyrimidinyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[4-amino-6-(cyclohexylamino)-5-nitropyrimidin-2-yl]amino]propyl-dimethylazanium Traditional Name: 3-[[4-amino-6-(cyclohexylamino)-5-nitro-pyrimidin-2-yl]amino]propyl-dimethyl-ammonium Formula: C15H28N7O2+ MolecularWeight: 338.42852

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC1=NC(=C(C(=N1)NC2CCCCC2)[N+](=O)[O-])N

Isomeric SMILES

C[NH+](C)CCCNC1=NC(=C(C(=N1)NC2CCCCC2)[N+](=O)[O-])N

InChI

InChI=1S/C15H27N7O2/c1-21(2)10-6-9-17-15-19-13(16)12(22(23)24)14(20-15)18-11-7-4-3-5-8-11/h11H,3-10H2,1-2H3,(H4,16,17,18,19,20)/p+1