[4-(4-fluorophenyl)-5-iodanyl-6-propan-2-yl-pyrimidin-2-yl] 4-methylbenzenesulfonate

Systemtic Name: [4-(4-fluorophenyl)-5-iodanyl-6-propan-2-yl-pyrimidin-2-yl] 4-methylbenzenesulfonate Openeye Name: [4-(4-fluorophenyl)-5-iodo-6-isopropyl-pyrimidin-2-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-(4-fluorophenyl)-5-iodo-6-propan-2-yl-2-pyrimidinyl] ester IUPAC Name: [4-(4-fluorophenyl)-5-iodo-6-propan-2-ylpyrimidin-2-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-(4-fluorophenyl)-5-iodo-6-isopropyl-pyrimidin-2-yl] ester Formula: C20H18FIN2O3S MolecularWeight: 512.336393

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=NC(=C(C(=N2)C(C)C)I)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=NC(=C(C(=N2)C(C)C)I)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H18FIN2O3S/c1-12(2)18-17(22)19(14-6-8-15(21)9-7-14)24-20(23-18)27-28(25,26)16-10-4-13(3)5-11-16/h4-12H,1-3H3