1-(3-methoxy-3-oxidanylidene-propyl)-2-methylsulfonyl-6-oxidanylidene-5-phenylmethoxy-pyrimidine-4-carboxylic acid

Systemtic Name: 1-(3-methoxy-3-oxidanylidene-propyl)-2-methylsulfonyl-6-oxidanylidene-5-phenylmethoxy-pyrimidine-4-carboxylic acid Openeye Name: 5-benzyloxy-1-(3-methoxy-3-oxo-propyl)-2-methylsulfonyl-6-oxo-pyrimidine-4-carboxylic acid CAS Name: 1-(3-methoxy-3-oxopropyl)-2-methylsulfonyl-6-oxo-5-phenylmethoxy-4-pyrimidinecarboxylic acid IUPAC Name: 1-(3-methoxy-3-oxopropyl)-2-methylsulfonyl-6-oxo-5-phenylmethoxypyrimidine-4-carboxylic acid Traditional Name: 5-benzoxy-6-keto-1-(3-keto-3-methoxy-propyl)-2-mesyl-pyrimidine-4-carboxylic acid Formula: C17H18N2O8S MolecularWeight: 410.39842

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCN1C(=O)C(=C(N=C1S(=O)(=O)C)C(=O)O)OCC2=CC=CC=C2

Isomeric SMILES

COC(=O)CCN1C(=O)C(=C(N=C1S(=O)(=O)C)C(=O)O)OCC2=CC=CC=C2

InChI

InChI=1S/C17H18N2O8S/c1-26-12(20)8-9-19-15(21)14(27-10-11-6-4-3-5-7-11)13(16(22)23)18-17(19)28(2,24)25/h3-7H,8-10H2,1-2H3,(H,22,23)