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

Systemtic Name: ethyl 3-cyano-2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-3-methyl-butanoate Openeye Name: ethyl 3-cyano-2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-3-methyl-butanoate CAS Name: 3-cyano-2-[(4,6-dimethoxy-2-pyrimidinyl)thio]-3-methylbutanoic acid ethyl ester IUPAC Name: ethyl 3-cyano-2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-3-methylbutanoate Traditional Name: 3-cyano-2-[(4,6-dimethoxypyrimidin-2-yl)thio]-3-methyl-butyric acid ethyl ester Formula: C14H19N3O4S MolecularWeight: 325.38336

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C)(C)C#N)SC1=NC(=CC(=N1)OC)OC

Isomeric SMILES

CCOC(=O)C(C(C)(C)C#N)SC1=NC(=CC(=N1)OC)OC

InChI

InChI=1S/C14H19N3O4S/c1-6-21-12(18)11(14(2,3)8-15)22-13-16-9(19-4)7-10(17-13)20-5/h7,11H,6H2,1-5H3