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

Systemtic Name: [2-azanyl-4-(4-fluorophenyl)-6-propan-2-yl-pyrimidin-5-yl] tris(fluoranyl)methanesulfonate Openeye Name: [2-amino-4-(4-fluorophenyl)-6-isopropyl-pyrimidin-5-yl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [2-amino-4-(4-fluorophenyl)-6-propan-2-yl-5-pyrimidinyl] ester IUPAC Name: [2-amino-4-(4-fluorophenyl)-6-propan-2-ylpyrimidin-5-yl] trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [2-amino-4-(4-fluorophenyl)-6-isopropyl-pyrimidin-5-yl] ester Formula: C14H13F4N3O3S MolecularWeight: 379.329933

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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)N

Isomeric SMILES

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

InChI

InChI=1S/C14H13F4N3O3S/c1-7(2)10-12(24-25(22,23)14(16,17)18)11(21-13(19)20-10)8-3-5-9(15)6-4-8/h3-7H,1-2H3,(H2,19,20,21)