5-[2-(2-azanylpyrimidin-5-yl)ethynyl]-N-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide

Systemtic Name: 5-[2-(2-azanylpyrimidin-5-yl)ethynyl]-N-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide Openeye Name: 5-[2-(2-aminopyrimidin-5-yl)ethynyl]-N-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide CAS Name: 5-[2-(2-amino-5-pyrimidinyl)ethynyl]-N-[3-(trifluoromethyl)phenyl]-2-thiophenecarboxamide IUPAC Name: 5-[2-(2-aminopyrimidin-5-yl)ethynyl]-N-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide Traditional Name: 5-[2-(2-aminopyrimidin-5-yl)ethynyl]-N-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide Formula: C18H11F3N4OS MolecularWeight: 388.36635

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)C2=CC=C(S2)C#CC3=CN=C(N=C3)N)C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)C2=CC=C(S2)C#CC3=CN=C(N=C3)N)C(F)(F)F

InChI

InChI=1S/C18H11F3N4OS/c19-18(20,21)12-2-1-3-13(8-12)25-16(26)15-7-6-14(27-15)5-4-11-9-23-17(22)24-10-11/h1-3,6-10H,(H,25,26)(H2,22,23,24)