2-[(4,6-dimethoxypyrimidin-2-yl)methylsulfanyl]-3-methyl-imidazole-4-carboxylic acid

Systemtic Name: 2-[(4,6-dimethoxypyrimidin-2-yl)methylsulfanyl]-3-methyl-imidazole-4-carboxylic acid Openeye Name: 2-[(4,6-dimethoxypyrimidin-2-yl)methylsulfanyl]-3-methyl-imidazole-4-carboxylic acid CAS Name: 2-[(4,6-dimethoxy-2-pyrimidinyl)methylthio]-3-methyl-4-imidazolecarboxylic acid IUPAC Name: 2-[(4,6-dimethoxypyrimidin-2-yl)methylsulfanyl]-3-methylimidazole-4-carboxylic acid Traditional Name: 2-[(4,6-dimethoxypyrimidin-2-yl)methylthio]-3-methyl-imidazole-4-carboxylic acid Formula: C12H14N4O4S MolecularWeight: 310.32896

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CN=C1SCC2=NC(=CC(=N2)OC)OC)C(=O)O

Isomeric SMILES

CN1C(=CN=C1SCC2=NC(=CC(=N2)OC)OC)C(=O)O

InChI

InChI=1S/C12H14N4O4S/c1-16-7(11(17)18)5-13-12(16)21-6-8-14-9(19-2)4-10(15-8)20-3/h4-5H,6H2,1-3H3,(H,17,18)