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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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