(E)-3-bromanyl-1,1,1-tris(fluoranyl)-4-(pyrimidin-2-ylamino)but-3-en-2-one

Systemtic Name: (E)-3-bromanyl-1,1,1-tris(fluoranyl)-4-(pyrimidin-2-ylamino)but-3-en-2-one Openeye Name: (E)-3-bromo-1,1,1-trifluoro-4-(pyrimidin-2-ylamino)but-3-en-2-one CAS Name: (E)-3-bromo-1,1,1-trifluoro-4-(2-pyrimidinylamino)-3-buten-2-one IUPAC Name: (E)-3-bromo-1,1,1-trifluoro-4-(pyrimidin-2-ylamino)but-3-en-2-one Traditional Name: (E)-3-bromo-1,1,1-trifluoro-4-(2-pyrimidylamino)but-3-en-2-one Formula: C8H5BrF3N3O MolecularWeight: 296.04401

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1)NC=C(C(=O)C(F)(F)F)Br

Isomeric SMILES

C1=CN=C(N=C1)N/C=C(\C(=O)C(F)(F)F)/Br

InChI

InChI=1S/C8H5BrF3N3O/c9-5(6(16)8(10,11)12)4-15-7-13-2-1-3-14-7/h1-4H,(H,13,14,15)/b5-4+