2-[[5-[[2-(carboxymethylsulfanyl)-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-5-yl]-phenyl-methyl]-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[5-[[2-(carboxymethylsulfanyl)-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-5-yl]-phenyl-methyl]-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[5-[[2-(carboxymethylsulfanyl)-4-hydroxy-6-oxo-1H-pyrimidin-5-yl]-phenyl-methyl]-4-hydroxy-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetic acid CAS Name: 2-[[5-[[2-(carboxymethylthio)-4-hydroxy-6-oxo-1H-pyrimidin-5-yl]-phenylmethyl]-4-hydroxy-6-oxo-1H-pyrimidin-2-yl]thio]acetic acid IUPAC Name: 2-[[5-[[2-(carboxymethylsulfanyl)-4-hydroxy-6-oxo-1H-pyrimidin-5-yl]-phenylmethyl]-4-hydroxy-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetic acid Traditional Name: 2-[[5-[[2-(carboxymethylthio)-4-hydroxy-6-keto-1H-pyrimidin-5-yl]-phenyl-methyl]-4-hydroxy-6-keto-1H-pyrimidin-2-yl]thio]acetic acid Formula: C19H16N4O8S2 MolecularWeight: 492.48234

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=C(N=C(NC2=O)SCC(=O)O)O)C3=C(N=C(NC3=O)SCC(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)C(C2=C(N=C(NC2=O)SCC(=O)O)O)C3=C(N=C(NC3=O)SCC(=O)O)O

InChI

InChI=1S/C19H16N4O8S2/c24-9(25)6-32-18-20-14(28)12(15(29)21-18)11(8-4-2-1-3-5-8)13-16(30)22-19(23-17(13)31)33-7-10(26)27/h1-5,11H,6-7H2,(H,24,25)(H,26,27)(H2,20,21,28,29)(H2,22,23,30,31)