3-[(4,6-dimethoxy-3-methyl-4H-pyrimidin-2-yl)sulfanyl]-4-methyl-2-oxidanyl-pentanenitrile

Systemtic Name: 3-[(4,6-dimethoxy-3-methyl-4H-pyrimidin-2-yl)sulfanyl]-4-methyl-2-oxidanyl-pentanenitrile Openeye Name: 3-[(4,6-dimethoxy-3-methyl-4H-pyrimidin-2-yl)sulfanyl]-2-hydroxy-4-methyl-pentanenitrile CAS Name: 3-[(4,6-dimethoxy-3-methyl-4H-pyrimidin-2-yl)thio]-2-hydroxy-4-methylpentanenitrile IUPAC Name: 3-[(4,6-dimethoxy-3-methyl-4H-pyrimidin-2-yl)sulfanyl]-2-hydroxy-4-methylpentanenitrile Traditional Name: 3-[(4,6-dimethoxy-3-methyl-4H-pyrimidin-2-yl)thio]-2-hydroxy-4-methyl-valeronitrile Formula: C13H21N3O3S MolecularWeight: 299.38914

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(C#N)O)SC1=NC(=CC(N1C)OC)OC

Isomeric SMILES

CC(C)C(C(C#N)O)SC1=NC(=CC(N1C)OC)OC

InChI

InChI=1S/C13H21N3O3S/c1-8(2)12(9(17)7-14)20-13-15-10(18-4)6-11(19-5)16(13)3/h6,8-9,11-12,17H,1-5H3