N-(6-azanyl-4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-5-yl)-3-nitro-benzenesulfonamide

Systemtic Name: N-(6-azanyl-4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-5-yl)-3-nitro-benzenesulfonamide Openeye Name: N-(6-amino-4-oxo-2-thioxo-1H-pyrimidin-5-yl)-3-nitro-benzenesulfonamide CAS Name: N-(6-amino-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)-3-nitrobenzenesulfonamide IUPAC Name: N-(6-amino-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)-3-nitrobenzenesulfonamide Traditional Name: N-(6-amino-4-keto-2-thioxo-1H-pyrimidin-5-yl)-3-nitro-benzenesulfonamide Formula: C10H9N5O5S2 MolecularWeight: 343.33896

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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