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

Systemtic Name: 3-[[4-azanyl-6-[(2-methoxyphenyl)amino]-5-nitro-pyrimidin-2-yl]amino]propyl-dimethyl-azanium Openeye Name: 3-[[4-amino-6-(2-methoxyanilino)-5-nitro-pyrimidin-2-yl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[4-amino-6-(2-methoxyanilino)-5-nitro-2-pyrimidinyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[4-amino-6-(2-methoxyanilino)-5-nitropyrimidin-2-yl]amino]propyl-dimethylazanium Traditional Name: 3-[[4-amino-5-nitro-6-(o-anisidino)pyrimidin-2-yl]amino]propyl-dimethyl-ammonium Formula: C16H24N7O3+ MolecularWeight: 362.40686

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC1=NC(=C(C(=N1)NC2=CC=CC=C2OC)[N+](=O)[O-])N

Isomeric SMILES

C[NH+](C)CCCNC1=NC(=C(C(=N1)NC2=CC=CC=C2OC)[N+](=O)[O-])N

InChI

InChI=1S/C16H23N7O3/c1-22(2)10-6-9-18-16-20-14(17)13(23(24)25)15(21-16)19-11-7-4-5-8-12(11)26-3/h4-5,7-8H,6,9-10H2,1-3H3,(H4,17,18,19,20,21)/p+1