5,7-dimethyl-N-[3-(2-thiophen-2-ylethynyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

Systemtic Name: 5,7-dimethyl-N-[3-(2-thiophen-2-ylethynyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide Openeye Name: 5,7-dimethyl-N-[3-[2-(2-thienyl)ethynyl]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide CAS Name: 5,7-dimethyl-N-[3-(2-thiophen-2-ylethynyl)phenyl]-3-pyrazolo[1,5-a]pyrimidinecarboxamide IUPAC Name: 5,7-dimethyl-N-[3-(2-thiophen-2-ylethynyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide Traditional Name: 5,7-dimethyl-N-[3-[2-(2-thienyl)ethynyl]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide Formula: C21H16N4OS MolecularWeight: 372.44294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C(C=NN12)C(=O)NC3=CC=CC(=C3)C#CC4=CC=CS4)C

Isomeric SMILES

CC1=CC(=NC2=C(C=NN12)C(=O)NC3=CC=CC(=C3)C#CC4=CC=CS4)C

InChI

InChI=1S/C21H16N4OS/c1-14-11-15(2)25-20(23-14)19(13-22-25)21(26)24-17-6-3-5-16(12-17)8-9-18-7-4-10-27-18/h3-7,10-13H,1-2H3,(H,24,26)