1-methylsulfanylethyl 2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]benzoate

Systemtic Name: 1-methylsulfanylethyl 2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]benzoate Openeye Name: 1-methylsulfanylethyl 2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]benzoate CAS Name: 2,6-bis[(4,6-dimethoxy-2-pyrimidinyl)oxy]benzoic acid 1-(methylthio)ethyl ester IUPAC Name: 1-methylsulfanylethyl 2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]benzoate Traditional Name: 2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]benzoic acid 1-(methylthio)ethyl ester Formula: C22H24N4O8S MolecularWeight: 504.51296

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Descriptors Computed from Structure

Canonical SMILES:

CC(OC(=O)C1=C(C=CC=C1OC2=NC(=CC(=N2)OC)OC)OC3=NC(=CC(=N3)OC)OC)SC

Isomeric SMILES

CC(OC(=O)C1=C(C=CC=C1OC2=NC(=CC(=N2)OC)OC)OC3=NC(=CC(=N3)OC)OC)SC

InChI

InChI=1S/C22H24N4O8S/c1-12(35-6)32-20(27)19-13(33-21-23-15(28-2)10-16(24-21)29-3)8-7-9-14(19)34-22-25-17(30-4)11-18(26-22)31-5/h7-12H,1-6H3