methyl 4-(4-fluorophenyl)-2-(phenylsulfonyloxy)-6-propan-2-yl-pyrimidine-5-carboxylate

Systemtic Name: methyl 4-(4-fluorophenyl)-2-(phenylsulfonyloxy)-6-propan-2-yl-pyrimidine-5-carboxylate Openeye Name: methyl 2-(benzenesulfonyloxy)-4-(4-fluorophenyl)-6-isopropyl-pyrimidine-5-carboxylate CAS Name: 2-(benzenesulfonyloxy)-4-(4-fluorophenyl)-6-propan-2-yl-5-pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 2-(benzenesulfonyloxy)-4-(4-fluorophenyl)-6-propan-2-ylpyrimidine-5-carboxylate Traditional Name: 2-besyloxy-4-(4-fluorophenyl)-6-isopropyl-pyrimidine-5-carboxylic acid methyl ester Formula: C21H19FN2O5S MolecularWeight: 430.449363

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=NC(=C1C(=O)OC)C2=CC=C(C=C2)F)OS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)C1=NC(=NC(=C1C(=O)OC)C2=CC=C(C=C2)F)OS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H19FN2O5S/c1-13(2)18-17(20(25)28-3)19(14-9-11-15(22)12-10-14)24-21(23-18)29-30(26,27)16-7-5-4-6-8-16/h4-13H,1-3H3