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

Systemtic Name: 3-[(4-azanyl-5-nitro-6-pyrrolidin-1-yl-pyrimidin-2-yl)amino]propyl-diethyl-azanium Openeye Name: 3-[(4-amino-5-nitro-6-pyrrolidin-1-yl-pyrimidin-2-yl)amino]propyl-diethyl-ammonium CAS Name: 3-[[4-amino-5-nitro-6-(1-pyrrolidinyl)-2-pyrimidinyl]amino]propyl-diethylammonium IUPAC Name: 3-[(4-amino-5-nitro-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]propyl-diethylazanium Traditional Name: 3-[(4-amino-5-nitro-6-pyrrolidino-pyrimidin-2-yl)amino]propyl-diethyl-ammonium Formula: C15H28N7O2+ MolecularWeight: 338.42852

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCNC1=NC(=C(C(=N1)N)[N+](=O)[O-])N2CCCC2

Isomeric SMILES

CC[NH+](CC)CCCNC1=NC(=C(C(=N1)N)[N+](=O)[O-])N2CCCC2

InChI

InChI=1S/C15H27N7O2/c1-3-20(4-2)9-7-8-17-15-18-13(16)12(22(23)24)14(19-15)21-10-5-6-11-21/h3-11H2,1-2H3,(H3,16,17,18,19)/p+1