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

Systemtic Name: 3-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-4-methyl-2-oxidanyl-pentanenitrile Openeye Name: 3-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-2-hydroxy-4-methyl-pentanenitrile CAS Name: 3-[(4,6-dimethoxy-2-pyrimidinyl)thio]-2-hydroxy-4-methylpentanenitrile IUPAC Name: 3-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-2-hydroxy-4-methylpentanenitrile Traditional Name: 3-[(4,6-dimethoxypyrimidin-2-yl)thio]-2-hydroxy-4-methyl-valeronitrile Formula: C12H17N3O3S MolecularWeight: 283.34668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17N3O3S/c1-7(2)11(8(16)6-13)19-12-14-9(17-3)5-10(15-12)18-4/h5,7-8,11,16H,1-4H3