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

Systemtic Name: 3-[(4-azanyl-5-nitro-6-phenylazanyl-pyrimidin-2-yl)amino]propyl-dimethyl-azanium Openeye Name: 3-[(4-amino-6-anilino-5-nitro-pyrimidin-2-yl)amino]propyl-dimethyl-ammonium CAS Name: 3-[(4-amino-6-anilino-5-nitro-2-pyrimidinyl)amino]propyl-dimethylammonium IUPAC Name: 3-[(4-amino-6-anilino-5-nitropyrimidin-2-yl)amino]propyl-dimethylazanium Traditional Name: 3-[(4-amino-6-anilino-5-nitro-pyrimidin-2-yl)amino]propyl-dimethyl-ammonium Formula: C15H22N7O2+ MolecularWeight: 332.38088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N7O2/c1-21(2)10-6-9-17-15-19-13(16)12(22(23)24)14(20-15)18-11-7-4-3-5-8-11/h3-5,7-8H,6,9-10H2,1-2H3,(H4,16,17,18,19,20)/p+1