[2-[(4-cyanophenyl)amino]pyrimidin-4-yl] tris(fluoranyl)methanesulfonate

Systemtic Name: [2-[(4-cyanophenyl)amino]pyrimidin-4-yl] tris(fluoranyl)methanesulfonate Openeye Name: [2-(4-cyanoanilino)pyrimidin-4-yl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [2-(4-cyanoanilino)-4-pyrimidinyl] ester IUPAC Name: [2-(4-cyanoanilino)pyrimidin-4-yl] trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [2-(4-cyanoanilino)pyrimidin-4-yl] ester Formula: C12H7F3N4O3S MolecularWeight: 344.26919

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)NC2=NC=CC(=N2)OS(=O)(=O)C(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1C#N)NC2=NC=CC(=N2)OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C12H7F3N4O3S/c13-12(14,15)23(20,21)22-10-5-6-17-11(19-10)18-9-3-1-8(7-16)2-4-9/h1-6H,(H,17,18,19)