2-[[5-[(3-aminophenyl)sulfonylamino]-6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[5-[(3-aminophenyl)sulfonylamino]-6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[6-amino-5-[(3-aminophenyl)sulfonylamino]-4-oxo-1H-pyrimidin-2-yl]sulfanyl]acetic acid CAS Name: 2-[[6-amino-5-[(3-aminophenyl)sulfonylamino]-4-oxo-1H-pyrimidin-2-yl]thio]acetic acid IUPAC Name: 2-[[6-amino-5-[(3-aminophenyl)sulfonylamino]-4-oxo-1H-pyrimidin-2-yl]sulfanyl]acetic acid Traditional Name: 2-[[6-amino-5-[(3-aminophenyl)sulfonylamino]-4-keto-1H-pyrimidin-2-yl]thio]acetic acid Formula: C12H13N5O5S2 MolecularWeight: 371.39212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N5O5S2/c13-6-2-1-3-7(4-6)24(21,22)17-9-10(14)15-12(16-11(9)20)23-5-8(18)19/h1-4,17H,5,13H2,(H,18,19)(H3,14,15,16,20)