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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20ClN7O2/c1-22(2)8-4-7-18-15-20-13(17)12(23(24)25)14(21-15)19-11-6-3-5-10(16)9-11/h3,5-6,9H,4,7-8H2,1-2H3,(H4,17,18,19,20,21)/p+1