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

Systemtic Name: 3-[[4-azanyl-6-[(4-chlorophenyl)amino]-5-nitro-pyrimidin-2-yl]amino]propyl-dimethyl-azanium Openeye Name: 3-[[4-amino-6-(4-chloroanilino)-5-nitro-pyrimidin-2-yl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[4-amino-6-(4-chloroanilino)-5-nitro-2-pyrimidinyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[4-amino-6-(4-chloroanilino)-5-nitropyrimidin-2-yl]amino]propyl-dimethylazanium Traditional Name: 3-[[4-amino-6-(4-chloroanilino)-5-nitro-pyrimidin-2-yl]amino]propyl-dimethyl-ammonium Formula: C15H21ClN7O2+ MolecularWeight: 366.82594

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)Cl)[N+](=O)[O-])N

Isomeric SMILES

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

InChI

InChI=1S/C15H20ClN7O2/c1-22(2)9-3-8-18-15-20-13(17)12(23(24)25)14(21-15)19-11-6-4-10(16)5-7-11/h4-7H,3,8-9H2,1-2H3,(H4,17,18,19,20,21)/p+1