1-(2-methoxy-2-oxidanylidene-ethyl)-2-methylsulfanyl-6-oxidanylidene-5-phenylmethoxy-pyrimidine-4-carboxylic acid

Systemtic Name: 1-(2-methoxy-2-oxidanylidene-ethyl)-2-methylsulfanyl-6-oxidanylidene-5-phenylmethoxy-pyrimidine-4-carboxylic acid Openeye Name: 5-benzyloxy-1-(2-methoxy-2-oxo-ethyl)-2-methylsulfanyl-6-oxo-pyrimidine-4-carboxylic acid CAS Name: 1-(2-methoxy-2-oxoethyl)-2-(methylthio)-6-oxo-5-phenylmethoxy-4-pyrimidinecarboxylic acid IUPAC Name: 1-(2-methoxy-2-oxoethyl)-2-methylsulfanyl-6-oxo-5-phenylmethoxypyrimidine-4-carboxylic acid Traditional Name: 5-benzoxy-6-keto-1-(2-keto-2-methoxy-ethyl)-2-(methylthio)pyrimidine-4-carboxylic acid Formula: C16H16N2O6S MolecularWeight: 364.37304

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C(=O)C(=C(N=C1SC)C(=O)O)OCC2=CC=CC=C2

Isomeric SMILES

COC(=O)CN1C(=O)C(=C(N=C1SC)C(=O)O)OCC2=CC=CC=C2

InChI

InChI=1S/C16H16N2O6S/c1-23-11(19)8-18-14(20)13(12(15(21)22)17-16(18)25-2)24-9-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H,21,22)