2-nitro-N-[(4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl)carbamothioyl]benzamide

Systemtic Name: 2-nitro-N-[(4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl)carbamothioyl]benzamide Openeye Name: N-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)carbamothioyl]-2-nitro-benzamide CAS Name: N-[[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)amino]-sulfanylidenemethyl]-2-nitrobenzamide IUPAC Name: N-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)carbamothioyl]-2-nitrobenzamide Traditional Name: N-[(4-hydroxy-6-keto-1H-pyrimidin-2-yl)thiocarbamoyl]-2-nitro-benzamide Formula: C12H9N5O5S MolecularWeight: 335.29536

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NC(=S)NC2=NC(=CC(=O)N2)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC(=S)NC2=NC(=CC(=O)N2)O)[N+](=O)[O-]

InChI

InChI=1S/C12H9N5O5S/c18-8-5-9(19)14-11(13-8)16-12(23)15-10(20)6-3-1-2-4-7(6)17(21)22/h1-5H,(H4,13,14,15,16,18,19,20,23)