2-(4,5-dimethyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylethanoate

Systemtic Name: 2-(4,5-dimethyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylethanoate Openeye Name: 2-(4,5-dimethyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylacetate CAS Name: 2-[[4,5-dimethyl-6-(1-pyrrolidinyl)-2-pyrimidinyl]thio]acetate IUPAC Name: 2-(4,5-dimethyl-6-pyrrolidin-1-ylpyrimidin-2-yl)sulfanylacetate Traditional Name: 2-[(4,5-dimethyl-6-pyrrolidino-pyrimidin-2-yl)thio]acetate Formula: C12H16N3O2S- MolecularWeight: 266.33934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=C1N2CCCC2)SCC(=O)[O-])C

Isomeric SMILES

CC1=C(N=C(N=C1N2CCCC2)SCC(=O)[O-])C

InChI

InChI=1S/C12H17N3O2S/c1-8-9(2)13-12(18-7-10(16)17)14-11(8)15-5-3-4-6-15/h3-7H2,1-2H3,(H,16,17)/p-1