[2-chloranyl-4-(4-fluorophenyl)-6-propan-2-yl-pyrimidin-5-yl] tris(fluoranyl)methanesulfonate

Systemtic Name: [2-chloranyl-4-(4-fluorophenyl)-6-propan-2-yl-pyrimidin-5-yl] tris(fluoranyl)methanesulfonate Openeye Name: [2-chloro-4-(4-fluorophenyl)-6-isopropyl-pyrimidin-5-yl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [2-chloro-4-(4-fluorophenyl)-6-propan-2-yl-5-pyrimidinyl] ester IUPAC Name: [2-chloro-4-(4-fluorophenyl)-6-propan-2-ylpyrimidin-5-yl] trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [2-chloro-4-(4-fluorophenyl)-6-isopropyl-pyrimidin-5-yl] ester Formula: C14H11ClF4N2O3S MolecularWeight: 398.760353

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=NC(=C1OS(=O)(=O)C(F)(F)F)C2=CC=C(C=C2)F)Cl

Isomeric SMILES

CC(C)C1=NC(=NC(=C1OS(=O)(=O)C(F)(F)F)C2=CC=C(C=C2)F)Cl

InChI

InChI=1S/C14H11ClF4N2O3S/c1-7(2)10-12(24-25(22,23)14(17,18)19)11(21-13(15)20-10)8-3-5-9(16)6-4-8/h3-7H,1-2H3