3-(4-oxidanylidenethieno[2,3-d]pyrimidin-3-yl)-N-[3-(2-pyridin-2-ylethynyl)phenyl]propanamide

Systemtic Name: 3-(4-oxidanylidenethieno[2,3-d]pyrimidin-3-yl)-N-[3-(2-pyridin-2-ylethynyl)phenyl]propanamide Openeye Name: 3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[3-[2-(2-pyridyl)ethynyl]phenyl]propanamide CAS Name: 3-(4-oxo-3-thieno[2,3-d]pyrimidinyl)-N-[3-[2-(2-pyridinyl)ethynyl]phenyl]propanamide IUPAC Name: 3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[3-(2-pyridin-2-ylethynyl)phenyl]propanamide Traditional Name: 3-(4-ketothieno[2,3-d]pyrimidin-3-yl)-N-[3-[2-(2-pyridyl)ethynyl]phenyl]propionamide Formula: C22H16N4O2S MolecularWeight: 400.45304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)C#CC2=CC(=CC=C2)NC(=O)CCN3C=NC4=C(C3=O)C=CS4

Isomeric SMILES

C1=CC=NC(=C1)C#CC2=CC(=CC=C2)NC(=O)CCN3C=NC4=C(C3=O)C=CS4

InChI

InChI=1S/C22H16N4O2S/c27-20(9-12-26-15-24-21-19(22(26)28)10-13-29-21)25-18-6-3-4-16(14-18)7-8-17-5-1-2-11-23-17/h1-6,10-11,13-15H,9,12H2,(H,25,27)