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

Systemtic Name: 3-[[4-azanyl-6-[(3,4-dimethylphenyl)amino]-5-nitro-pyrimidin-2-yl]amino]propyl-dimethyl-azanium Openeye Name: 3-[[4-amino-6-(3,4-dimethylanilino)-5-nitro-pyrimidin-2-yl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[4-amino-6-(3,4-dimethylanilino)-5-nitro-2-pyrimidinyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[4-amino-6-(3,4-dimethylanilino)-5-nitropyrimidin-2-yl]amino]propyl-dimethylazanium Traditional Name: 3-[[4-amino-6-(3,4-dimethylanilino)-5-nitro-pyrimidin-2-yl]amino]propyl-dimethyl-ammonium Formula: C17H26N7O2+ MolecularWeight: 360.43404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=NC(=NC(=C2[N+](=O)[O-])N)NCCC[NH+](C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=NC(=NC(=C2[N+](=O)[O-])N)NCCC[NH+](C)C)C

InChI

InChI=1S/C17H25N7O2/c1-11-6-7-13(10-12(11)2)20-16-14(24(25)26)15(18)21-17(22-16)19-8-5-9-23(3)4/h6-7,10H,5,8-9H2,1-4H3,(H4,18,19,20,21,22)/p+1