N,N-diethyl-4-[(6-imidazol-1-yl-5-nitro-pyrimidin-4-yl)amino]benzenesulfonamide

Systemtic Name: N,N-diethyl-4-[(6-imidazol-1-yl-5-nitro-pyrimidin-4-yl)amino]benzenesulfonamide Openeye Name: N,N-diethyl-4-[(6-imidazol-1-yl-5-nitro-pyrimidin-4-yl)amino]benzenesulfonamide CAS Name: N,N-diethyl-4-[[6-(1-imidazolyl)-5-nitro-4-pyrimidinyl]amino]benzenesulfonamide IUPAC Name: N,N-diethyl-4-[(6-imidazol-1-yl-5-nitropyrimidin-4-yl)amino]benzenesulfonamide Traditional Name: N,N-diethyl-4-[(6-imidazol-1-yl-5-nitro-pyrimidin-4-yl)amino]benzenesulfonamide Formula: C17H19N7O4S MolecularWeight: 417.44226

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3C=CN=C3

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3C=CN=C3

InChI

InChI=1S/C17H19N7O4S/c1-3-23(4-2)29(27,28)14-7-5-13(6-8-14)21-16-15(24(25)26)17(20-11-19-16)22-10-9-18-12-22/h5-12H,3-4H2,1-2H3,(H,19,20,21)