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

Systemtic Name: N,N-diethyl-4-[(5-nitro-4-oxidanylidene-1H-pyrimidin-6-yl)amino]benzenesulfonamide Openeye Name: N,N-diethyl-4-[(5-nitro-4-oxo-1H-pyrimidin-6-yl)amino]benzenesulfonamide CAS Name: N,N-diethyl-4-[(5-nitro-4-oxo-1H-pyrimidin-6-yl)amino]benzenesulfonamide IUPAC Name: N,N-diethyl-4-[(5-nitro-4-oxo-1H-pyrimidin-6-yl)amino]benzenesulfonamide Traditional Name: N,N-diethyl-4-[(4-keto-5-nitro-1H-pyrimidin-6-yl)amino]benzenesulfonamide Formula: C14H17N5O5S MolecularWeight: 367.38028

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NC2=C(C(=O)N=CN2)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NC2=C(C(=O)N=CN2)[N+](=O)[O-]

InChI

InChI=1S/C14H17N5O5S/c1-3-18(4-2)25(23,24)11-7-5-10(6-8-11)17-13-12(19(21)22)14(20)16-9-15-13/h5-9H,3-4H2,1-2H3,(H2,15,16,17,20)