4-[(pyrimidin-2-ylamino)methylidene]-2-[3-(trifluoromethyl)phenyl]isoquinoline-1,3-dione

Systemtic Name: 4-[(pyrimidin-2-ylamino)methylidene]-2-[3-(trifluoromethyl)phenyl]isoquinoline-1,3-dione Openeye Name: 4-[(pyrimidin-2-ylamino)methylene]-2-[3-(trifluoromethyl)phenyl]isoquinoline-1,3-dione CAS Name: 4-[(2-pyrimidinylamino)methylidene]-2-[3-(trifluoromethyl)phenyl]isoquinoline-1,3-dione IUPAC Name: 4-[(pyrimidin-2-ylamino)methylidene]-2-[3-(trifluoromethyl)phenyl]isoquinoline-1,3-dione Traditional Name: 4-[(2-pyrimidylamino)methylene]-2-[3-(trifluoromethyl)phenyl]isoquinoline-1,3-quinone Formula: C21H13F3N4O2 MolecularWeight: 410.34873

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CNC3=NC=CC=N3)C(=O)N(C2=O)C4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=CNC3=NC=CC=N3)C(=O)N(C2=O)C4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C21H13F3N4O2/c22-21(23,24)13-5-3-6-14(11-13)28-18(29)16-8-2-1-7-15(16)17(19(28)30)12-27-20-25-9-4-10-26-20/h1-12H,(H,25,26,27)