[2-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-oxidanylidene-ethyl] 2-methyl-5-methylsulfonyl-benzoate

Systemtic Name: [2-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-oxidanylidene-ethyl] 2-methyl-5-methylsulfonyl-benzoate Openeye Name: [2-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-oxo-ethyl] 2-methyl-5-methylsulfonyl-benzoate CAS Name: 2-methyl-5-methylsulfonylbenzoic acid [2-[(4,6-dimethoxy-2-pyrimidinyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-oxoethyl] 2-methyl-5-methylsulfonylbenzoate Traditional Name: 5-mesyl-2-methyl-benzoic acid [2-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-keto-ethyl] ester Formula: C17H19N3O7S MolecularWeight: 409.41366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)OCC(=O)NC2=NC(=CC(=N2)OC)OC

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)OCC(=O)NC2=NC(=CC(=N2)OC)OC

InChI

InChI=1S/C17H19N3O7S/c1-10-5-6-11(28(4,23)24)7-12(10)16(22)27-9-13(21)18-17-19-14(25-2)8-15(20-17)26-3/h5-8H,9H2,1-4H3,(H,18,19,20,21)