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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC1=NC(=C(C(=N1)NC2=CC=C(C=C2)OC)[N+](=O)[O-])N

Isomeric SMILES

C[NH+](C)CCCNC1=NC(=C(C(=N1)NC2=CC=C(C=C2)OC)[N+](=O)[O-])N

InChI

InChI=1S/C16H23N7O3/c1-22(2)10-4-9-18-16-20-14(17)13(23(24)25)15(21-16)19-11-5-7-12(26-3)8-6-11/h5-8H,4,9-10H2,1-3H3,(H4,17,18,19,20,21)/p+1