(phenylmethyl) 2-(2,6-dimethoxypyrimidin-4-yl)sulfanyl-6-phenyl-benzoate

Systemtic Name: (phenylmethyl) 2-(2,6-dimethoxypyrimidin-4-yl)sulfanyl-6-phenyl-benzoate Openeye Name: benzyl 2-(2,6-dimethoxypyrimidin-4-yl)sulfanyl-6-phenyl-benzoate CAS Name: 2-[(2,6-dimethoxy-4-pyrimidinyl)thio]-6-phenylbenzoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(2,6-dimethoxypyrimidin-4-yl)sulfanyl-6-phenylbenzoate Traditional Name: 2-[(2,6-dimethoxypyrimidin-4-yl)thio]-6-phenyl-benzoic acid benzyl ester Formula: C26H22N2O4S MolecularWeight: 458.52888

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)OC)SC2=CC=CC(=C2C(=O)OCC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC(=NC(=N1)OC)SC2=CC=CC(=C2C(=O)OCC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H22N2O4S/c1-30-22-16-23(28-26(27-22)31-2)33-21-15-9-14-20(19-12-7-4-8-13-19)24(21)25(29)32-17-18-10-5-3-6-11-18/h3-16H,17H2,1-2H3