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

Systemtic Name: 3-[[4-azanyl-6-[(4-ethoxyphenyl)amino]-5-nitro-pyrimidin-2-yl]amino]propyl-dimethyl-azanium Openeye Name: 3-[[4-amino-6-(4-ethoxyanilino)-5-nitro-pyrimidin-2-yl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[4-amino-6-(4-ethoxyanilino)-5-nitro-2-pyrimidinyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[4-amino-6-(4-ethoxyanilino)-5-nitropyrimidin-2-yl]amino]propyl-dimethylazanium Traditional Name: 3-[[4-amino-5-nitro-6-(p-phenetidino)pyrimidin-2-yl]amino]propyl-dimethyl-ammonium Formula: C17H26N7O3+ MolecularWeight: 376.43344

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC2=NC(=NC(=C2[N+](=O)[O-])N)NCCC[NH+](C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)NC2=NC(=NC(=C2[N+](=O)[O-])N)NCCC[NH+](C)C

InChI

InChI=1S/C17H25N7O3/c1-4-27-13-8-6-12(7-9-13)20-16-14(24(25)26)15(18)21-17(22-16)19-10-5-11-23(2)3/h6-9H,4-5,10-11H2,1-3H3,(H4,18,19,20,21,22)/p+1