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

Systemtic Name: 2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-3-methyl-3-oxidanyl-pentanoic acid Openeye Name: 2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-3-hydroxy-3-methyl-pentanoic acid CAS Name: 2-[(4,6-dimethoxy-2-pyrimidinyl)thio]-3-hydroxy-3-methylpentanoic acid IUPAC Name: 2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-3-hydroxy-3-methylpentanoic acid Traditional Name: 2-[(4,6-dimethoxypyrimidin-2-yl)thio]-3-hydroxy-3-methyl-valeric acid Formula: C12H18N2O5S MolecularWeight: 302.34672

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C(C(=O)O)SC1=NC(=CC(=N1)OC)OC)O

Isomeric SMILES

CCC(C)(C(C(=O)O)SC1=NC(=CC(=N1)OC)OC)O

InChI

InChI=1S/C12H18N2O5S/c1-5-12(2,17)9(10(15)16)20-11-13-7(18-3)6-8(14-11)19-4/h6,9,17H,5H2,1-4H3,(H,15,16)