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

Systemtic Name: 2-[[4-azanyl-6-[(3-chlorophenyl)amino]-5-nitro-pyrimidin-2-yl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[[4-amino-6-(3-chloroanilino)-5-nitro-pyrimidin-2-yl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[4-amino-6-(3-chloroanilino)-5-nitro-2-pyrimidinyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[4-amino-6-(3-chloroanilino)-5-nitropyrimidin-2-yl]amino]ethyl-dimethylazanium Traditional Name: 2-[[4-amino-6-(3-chloroanilino)-5-nitro-pyrimidin-2-yl]amino]ethyl-dimethyl-ammonium Formula: C14H19ClN7O2+ MolecularWeight: 352.79936

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC1=NC(=C(C(=N1)NC2=CC(=CC=C2)Cl)[N+](=O)[O-])N

Isomeric SMILES

C[NH+](C)CCNC1=NC(=C(C(=N1)NC2=CC(=CC=C2)Cl)[N+](=O)[O-])N

InChI

InChI=1S/C14H18ClN7O2/c1-21(2)7-6-17-14-19-12(16)11(22(23)24)13(20-14)18-10-5-3-4-9(15)8-10/h3-5,8H,6-7H2,1-2H3,(H4,16,17,18,19,20)/p+1