sodium 3-(4,5-dimethylpyrimidin-2-yl)sulfanylpropane-1-sulfonate

Systemtic Name: sodium 3-(4,5-dimethylpyrimidin-2-yl)sulfanylpropane-1-sulfonate Openeye Name: sodium 3-(4,5-dimethylpyrimidin-2-yl)sulfanylpropane-1-sulfonate CAS Name: sodium 3-[(4,5-dimethyl-2-pyrimidinyl)thio]-1-propanesulfonate IUPAC Name: sodium 3-(4,5-dimethylpyrimidin-2-yl)sulfanylpropane-1-sulfonate Traditional Name: sodium 3-[(4,5-dimethylpyrimidin-2-yl)thio]propane-1-sulfonate Formula: C9H13N2NaO3S2 MolecularWeight: 284.33089

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N=C1C)SCCCS(=O)(=O)[O-].[Na+]

Isomeric SMILES

CC1=CN=C(N=C1C)SCCCS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C9H14N2O3S2.Na/c1-7-6-10-9(11-8(7)2)15-4-3-5-16(12,13)14;/h6H,3-5H2,1-2H3,(H,12,13,14);/q;+1/p-1