2-ethyl-4,5-dimethyl-N-[3-(2-pyridin-2-ylethynyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide

Systemtic Name: 2-ethyl-4,5-dimethyl-N-[3-(2-pyridin-2-ylethynyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: 2-ethyl-4,5-dimethyl-N-[3-[2-(2-pyridyl)ethynyl]phenyl]thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: 2-ethyl-4,5-dimethyl-N-[3-[2-(2-pyridinyl)ethynyl]phenyl]-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: 2-ethyl-4,5-dimethyl-N-[3-(2-pyridin-2-ylethynyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: 2-ethyl-4,5-dimethyl-N-[3-[2-(2-pyridyl)ethynyl]phenyl]thieno[2,3-d]pyrimidine-6-carboxamide Formula: C24H20N4OS MolecularWeight: 412.5068

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=C2C(=C(SC2=N1)C(=O)NC3=CC=CC(=C3)C#CC4=CC=CC=N4)C)C

Isomeric SMILES

CCC1=NC(=C2C(=C(SC2=N1)C(=O)NC3=CC=CC(=C3)C#CC4=CC=CC=N4)C)C

InChI

InChI=1S/C24H20N4OS/c1-4-20-26-16(3)21-15(2)22(30-24(21)28-20)23(29)27-19-10-7-8-17(14-19)11-12-18-9-5-6-13-25-18/h5-10,13-14H,4H2,1-3H3,(H,27,29)