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

Systemtic Name: propyl 3-cyano-2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-3-methyl-butanoate Openeye Name: propyl 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 propyl ester IUPAC Name: propyl 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 propyl ester Formula: C15H21N3O4S MolecularWeight: 339.40994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N3O4S/c1-6-7-22-13(19)12(15(2,3)9-16)23-14-17-10(20-4)8-11(18-14)21-5/h8,12H,6-7H2,1-5H3