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

Systemtic Name: 2-[[6-azanyl-4-oxidanylidene-5-(phenylsulfonylamino)-1H-pyrimidin-2-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[6-amino-5-(benzenesulfonamido)-4-oxo-1H-pyrimidin-2-yl]sulfanyl]acetic acid CAS Name: 2-[[6-amino-5-(benzenesulfonamido)-4-oxo-1H-pyrimidin-2-yl]thio]acetic acid IUPAC Name: 2-[[6-amino-5-(benzenesulfonamido)-4-oxo-1H-pyrimidin-2-yl]sulfanyl]acetic acid Traditional Name: 2-[[6-amino-5-(benzenesulfonamido)-4-keto-1H-pyrimidin-2-yl]thio]acetic acid Formula: C12H12N4O5S2 MolecularWeight: 356.37748

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)NC2=C(NC(=NC2=O)SCC(=O)O)N

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)NC2=C(NC(=NC2=O)SCC(=O)O)N

InChI

InChI=1S/C12H12N4O5S2/c13-10-9(11(19)15-12(14-10)22-6-8(17)18)16-23(20,21)7-4-2-1-3-5-7/h1-5,16H,6H2,(H,17,18)(H3,13,14,15,19)