3-cyano-2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-3-methyl-butanoate

Systemtic Name: 3-cyano-2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-3-methyl-butanoate Openeye Name: 3-cyano-2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-3-methyl-butanoate CAS Name: 3-cyano-2-[(4,6-dimethoxy-2-pyrimidinyl)thio]-3-methylbutanoate IUPAC Name: 3-cyano-2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-3-methylbutanoate Traditional Name: 3-cyano-2-[(4,6-dimethoxypyrimidin-2-yl)thio]-3-methyl-butyrate Formula: C12H14N3O4S- MolecularWeight: 296.32226

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#N)C(C(=O)[O-])SC1=NC(=CC(=N1)OC)OC

Isomeric SMILES

CC(C)(C#N)C(C(=O)[O-])SC1=NC(=CC(=N1)OC)OC

InChI

InChI=1S/C12H15N3O4S/c1-12(2,6-13)9(10(16)17)20-11-14-7(18-3)5-8(15-11)19-4/h5,9H,1-4H3,(H,16,17)/p-1