[2-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-oxidanylidene-ethyl] 2-ethylsulfinylbenzoate

Systemtic Name: [2-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-oxidanylidene-ethyl] 2-ethylsulfinylbenzoate Openeye Name: [2-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-oxo-ethyl] 2-ethylsulfinylbenzoate CAS Name: 2-ethylsulfinylbenzoic acid [2-[(4,6-dimethoxy-2-pyrimidinyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-oxoethyl] 2-ethylsulfinylbenzoate Traditional Name: 2-ethylsulfinylbenzoic acid [2-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-keto-ethyl] ester Formula: C17H19N3O6S MolecularWeight: 393.41426

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)C1=CC=CC=C1C(=O)OCC(=O)NC2=NC(=CC(=N2)OC)OC

Isomeric SMILES

CCS(=O)C1=CC=CC=C1C(=O)OCC(=O)NC2=NC(=CC(=N2)OC)OC

InChI

InChI=1S/C17H19N3O6S/c1-4-27(23)12-8-6-5-7-11(12)16(22)26-10-13(21)18-17-19-14(24-2)9-15(20-17)25-3/h5-9H,4,10H2,1-3H3,(H,18,19,20,21)