3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]propanoate

Systemtic Name: 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]propanoate Openeye Name: 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]propanoate CAS Name: 3-[(4,6-dimethyl-2-pyrimidinyl)thio]-2-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]propanoate IUPAC Name: 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]propanoate Traditional Name: 3-[(4,6-dimethylpyrimidin-2-yl)thio]-2-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]propionate Formula: C16H19N4O2S2- MolecularWeight: 363.47766

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(CSC2=NC(=CC(=N2)C)C)C(=O)[O-])C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(CSC2=NC(=CC(=N2)C)C)C(=O)[O-])C

InChI

InChI=1S/C16H20N4O2S2/c1-9-5-10(2)18-15(17-9)23-7-13(14(21)22)8-24-16-19-11(3)6-12(4)20-16/h5-6,13H,7-8H2,1-4H3,(H,21,22)/p-1