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

Systemtic Name: N-(6-azanyl-2-methylsulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl)-3-nitro-benzenesulfonamide Openeye Name: N-(6-amino-2-methylsulfanyl-4-oxo-1H-pyrimidin-5-yl)-3-nitro-benzenesulfonamide CAS Name: N-[6-amino-2-(methylthio)-4-oxo-1H-pyrimidin-5-yl]-3-nitrobenzenesulfonamide IUPAC Name: N-(6-amino-2-methylsulfanyl-4-oxo-1H-pyrimidin-5-yl)-3-nitrobenzenesulfonamide Traditional Name: N-[6-amino-4-keto-2-(methylthio)-1H-pyrimidin-5-yl]-3-nitro-benzenesulfonamide Formula: C11H11N5O5S2 MolecularWeight: 357.36554

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=O)C(=C(N1)N)NS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

CSC1=NC(=O)C(=C(N1)N)NS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C11H11N5O5S2/c1-22-11-13-9(12)8(10(17)14-11)15-23(20,21)7-4-2-3-6(5-7)16(18)19/h2-5,15H,1H3,(H3,12,13,14,17)