3-pyrimidin-2-ylsulfanyl-2-(pyrimidin-2-ylsulfanylmethyl)propanoic acid

Systemtic Name: 3-pyrimidin-2-ylsulfanyl-2-(pyrimidin-2-ylsulfanylmethyl)propanoic acid Openeye Name: 3-pyrimidin-2-ylsulfanyl-2-(pyrimidin-2-ylsulfanylmethyl)propanoic acid CAS Name: 3-(2-pyrimidinylthio)-2-[(2-pyrimidinylthio)methyl]propanoic acid IUPAC Name: 3-pyrimidin-2-ylsulfanyl-2-(pyrimidin-2-ylsulfanylmethyl)propanoic acid Traditional Name: 3-(2-pyrimidylthio)-2-[(2-pyrimidylthio)methyl]propionic acid Formula: C12H12N4O2S2 MolecularWeight: 308.37928

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1)SCC(CSC2=NC=CC=N2)C(=O)O

Isomeric SMILES

C1=CN=C(N=C1)SCC(CSC2=NC=CC=N2)C(=O)O

InChI

InChI=1S/C12H12N4O2S2/c17-10(18)9(7-19-11-13-3-1-4-14-11)8-20-12-15-5-2-6-16-12/h1-6,9H,7-8H2,(H,17,18)