2-[[6-azanyl-5-[(2-nitrophenyl)sulfonylamino]-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[6-azanyl-5-[(2-nitrophenyl)sulfonylamino]-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[6-amino-5-[(2-nitrophenyl)sulfonylamino]-4-oxo-1H-pyrimidin-2-yl]sulfanyl]acetic acid CAS Name: 2-[[6-amino-5-[(2-nitrophenyl)sulfonylamino]-4-oxo-1H-pyrimidin-2-yl]thio]acetic acid IUPAC Name: 2-[[6-amino-5-[(2-nitrophenyl)sulfonylamino]-4-oxo-1H-pyrimidin-2-yl]sulfanyl]acetic acid Traditional Name: 2-[[6-amino-4-keto-5-[(2-nitrophenyl)sulfonylamino]-1H-pyrimidin-2-yl]thio]acetic acid Formula: C12H11N5O7S2 MolecularWeight: 401.37504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11N5O7S2/c13-10-9(11(20)15-12(14-10)25-5-8(18)19)16-26(23,24)7-4-2-1-3-6(7)17(21)22/h1-4,16H,5H2,(H,18,19)(H3,13,14,15,20)