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

Systemtic Name: 3-[[4-azanyl-6-[(3-methylphenyl)amino]-5-nitro-pyrimidin-2-yl]amino]propyl-dimethyl-azanium Openeye Name: 3-[[4-amino-6-(3-methylanilino)-5-nitro-pyrimidin-2-yl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[4-amino-6-(3-methylanilino)-5-nitro-2-pyrimidinyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[4-amino-6-(3-methylanilino)-5-nitropyrimidin-2-yl]amino]propyl-dimethylazanium Traditional Name: 3-[[4-amino-6-(m-toluidino)-5-nitro-pyrimidin-2-yl]amino]propyl-dimethyl-ammonium Formula: C16H24N7O2+ MolecularWeight: 346.40746

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N7O2/c1-11-6-4-7-12(10-11)19-15-13(23(24)25)14(17)20-16(21-15)18-8-5-9-22(2)3/h4,6-7,10H,5,8-9H2,1-3H3,(H4,17,18,19,20,21)/p+1