2-chloranyl-6-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-benzoate; tris(2-hydroxyethyl)azanium

Systemtic Name: 2-chloranyl-6-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-benzoate; tris(2-hydroxyethyl)azanium Openeye Name: 2-chloro-6-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-benzoate; tris(2-hydroxyethyl)ammonium CAS Name: 2-chloro-6-[(4,6-dimethoxy-2-pyrimidinyl)thio]benzoate; tris(2-hydroxyethyl)ammonium IUPAC Name: 2-chloro-6-(4,6-dimethoxypyrimidin-2-yl)sulfanylbenzoate; tris(2-hydroxyethyl)azanium Traditional Name: 2-chloro-6-[(4,6-dimethoxypyrimidin-2-yl)thio]benzoate; tris(2-hydroxyethyl)ammonium Formula: C19H26ClN3O7S MolecularWeight: 475.94364

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)SC2=C(C(=CC=C2)Cl)C(=O)[O-])OC.C(CO)[NH+](CCO)CCO

Isomeric SMILES

COC1=CC(=NC(=N1)SC2=C(C(=CC=C2)Cl)C(=O)[O-])OC.C(CO)[NH+](CCO)CCO

InChI

InChI=1S/C13H11ClN2O4S.C6H15NO3/c1-19-9-6-10(20-2)16-13(15-9)21-8-5-3-4-7(14)11(8)12(17)18;8-4-1-7(2-5-9)3-6-10/h3-6H,1-2H3,(H,17,18);8-10H,1-6H2