3-[2-(2-carboxyethylsulfanyl)-6-phenyl-pyrimidin-4-yl]sulfanylpropanoic acid

Systemtic Name: 3-[2-(2-carboxyethylsulfanyl)-6-phenyl-pyrimidin-4-yl]sulfanylpropanoic acid Openeye Name: 3-[2-(2-carboxyethylsulfanyl)-6-phenyl-pyrimidin-4-yl]sulfanylpropanoic acid CAS Name: 3-[[2-(2-carboxyethylthio)-6-phenyl-4-pyrimidinyl]thio]propanoic acid IUPAC Name: 3-[2-(2-carboxyethylsulfanyl)-6-phenylpyrimidin-4-yl]sulfanylpropanoic acid Traditional Name: 3-[[2-(2-carboxyethylthio)-6-phenyl-pyrimidin-4-yl]thio]propionic acid Formula: C16H16N2O4S2 MolecularWeight: 364.43924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O4S2/c19-14(20)6-8-23-13-10-12(11-4-2-1-3-5-11)17-16(18-13)24-9-7-15(21)22/h1-5,10H,6-9H2,(H,19,20)(H,21,22)