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

Systemtic Name: 2-[2-(carboxymethylsulfanyl)-6-phenyl-pyrimidin-4-yl]sulfanylethanoic acid Openeye Name: 2-[2-(carboxymethylsulfanyl)-6-phenyl-pyrimidin-4-yl]sulfanylacetic acid CAS Name: 2-[[2-(carboxymethylthio)-6-phenyl-4-pyrimidinyl]thio]acetic acid IUPAC Name: 2-[2-(carboxymethylsulfanyl)-6-phenylpyrimidin-4-yl]sulfanylacetic acid Traditional Name: 2-[[2-(carboxymethylthio)-6-phenyl-pyrimidin-4-yl]thio]acetic acid Formula: C14H12N2O4S2 MolecularWeight: 336.38608

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NC(=N2)SCC(=O)O)SCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NC(=N2)SCC(=O)O)SCC(=O)O

InChI

InChI=1S/C14H12N2O4S2/c17-12(18)7-21-11-6-10(9-4-2-1-3-5-9)15-14(16-11)22-8-13(19)20/h1-6H,7-8H2,(H,17,18)(H,19,20)