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

Systemtic Name: 2-[6-(carboxymethylsulfanyl)-5-phenyl-pyrimidin-4-yl]sulfanylethanoic acid Openeye Name: 2-[6-(carboxymethylsulfanyl)-5-phenyl-pyrimidin-4-yl]sulfanylacetic acid CAS Name: 2-[[6-(carboxymethylthio)-5-phenyl-4-pyrimidinyl]thio]acetic acid IUPAC Name: 2-[6-(carboxymethylsulfanyl)-5-phenylpyrimidin-4-yl]sulfanylacetic acid Traditional Name: 2-[[6-(carboxymethylthio)-5-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=C(N=CN=C2SCC(=O)O)SCC(=O)O

Isomeric SMILES

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

InChI

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