N-(6-azanyl-4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-5-yl)-2-nitro-benzenesulfonamide

Systemtic Name: N-(6-azanyl-4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-5-yl)-2-nitro-benzenesulfonamide Openeye Name: N-(6-amino-4-oxo-2-thioxo-1H-pyrimidin-5-yl)-2-nitro-benzenesulfonamide CAS Name: N-(6-amino-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)-2-nitrobenzenesulfonamide IUPAC Name: N-(6-amino-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)-2-nitrobenzenesulfonamide Traditional Name: N-(6-amino-4-keto-2-thioxo-1H-pyrimidin-5-yl)-2-nitro-benzenesulfonamide Formula: C10H9N5O5S2 MolecularWeight: 343.33896

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H9N5O5S2/c11-8-7(9(16)13-10(21)12-8)14-22(19,20)6-4-2-1-3-5(6)15(17)18/h1-4,14H,(H4,11,12,13,16,21)