2-[2,6-bis(carboxymethylsulfanyl)-5-phenyl-pyrimidin-4-yl]sulfanylethanoic acid

Systemtic Name: 2-[2,6-bis(carboxymethylsulfanyl)-5-phenyl-pyrimidin-4-yl]sulfanylethanoic acid Openeye Name: 2-[2,6-bis(carboxymethylsulfanyl)-5-phenyl-pyrimidin-4-yl]sulfanylacetic acid CAS Name: 2-[[2,6-bis(carboxymethylthio)-5-phenyl-4-pyrimidinyl]thio]acetic acid IUPAC Name: 2-[2,6-bis(carboxymethylsulfanyl)-5-phenylpyrimidin-4-yl]sulfanylacetic acid Traditional Name: 2-[[2,6-bis(carboxymethylthio)-5-phenyl-pyrimidin-4-yl]thio]acetic acid Formula: C16H14N2O6S3 MolecularWeight: 426.48716

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(N=C(N=C2SCC(=O)O)SCC(=O)O)SCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=C(N=C(N=C2SCC(=O)O)SCC(=O)O)SCC(=O)O

InChI

InChI=1S/C16H14N2O6S3/c19-10(20)6-25-14-13(9-4-2-1-3-5-9)15(26-7-11(21)22)18-16(17-14)27-8-12(23)24/h1-5H,6-8H2,(H,19,20)(H,21,22)(H,23,24)