3-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-4,4-dimethyl-2-oxidanyl-pentanenitrile

Systemtic Name: 3-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-4,4-dimethyl-2-oxidanyl-pentanenitrile Openeye Name: 3-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-2-hydroxy-4,4-dimethyl-pentanenitrile CAS Name: 3-[(4,6-dimethoxy-2-pyrimidinyl)thio]-2-hydroxy-4,4-dimethylpentanenitrile IUPAC Name: 3-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-2-hydroxy-4,4-dimethylpentanenitrile Traditional Name: 3-[(4,6-dimethoxypyrimidin-2-yl)thio]-2-hydroxy-4,4-dimethyl-valeronitrile Formula: C13H19N3O3S MolecularWeight: 297.37326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19N3O3S/c1-13(2,3)11(8(17)7-14)20-12-15-9(18-4)6-10(16-12)19-5/h6,8,11,17H,1-5H3