6-(2-azanylpyrimidin-4-yl)oxy-N-[4-fluoranyl-3-(trifluoromethyl)phenyl]-1-benzothiophene-3-carboxamide

Systemtic Name: 6-(2-azanylpyrimidin-4-yl)oxy-N-[4-fluoranyl-3-(trifluoromethyl)phenyl]-1-benzothiophene-3-carboxamide Openeye Name: 6-(2-aminopyrimidin-4-yl)oxy-N-[4-fluoro-3-(trifluoromethyl)phenyl]benzothiophene-3-carboxamide CAS Name: 6-[(2-amino-4-pyrimidinyl)oxy]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1-benzothiophene-3-carboxamide IUPAC Name: 6-(2-aminopyrimidin-4-yl)oxy-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1-benzothiophene-3-carboxamide Traditional Name: 6-(2-aminopyrimidin-4-yl)oxy-N-[4-fluoro-3-(trifluoromethyl)phenyl]benzothiophene-3-carboxamide Formula: C20H12F4N4O2S MolecularWeight: 448.393493

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC(=O)C2=CSC3=C2C=CC(=C3)OC4=NC(=NC=C4)N)C(F)(F)F)F

Isomeric SMILES

C1=CC(=C(C=C1NC(=O)C2=CSC3=C2C=CC(=C3)OC4=NC(=NC=C4)N)C(F)(F)F)F

InChI

InChI=1S/C20H12F4N4O2S/c21-15-4-1-10(7-14(15)20(22,23)24)27-18(29)13-9-31-16-8-11(2-3-12(13)16)30-17-5-6-26-19(25)28-17/h1-9H,(H,27,29)(H2,25,26,28)