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

Systemtic Name: 3-(4-oxidanylidenethieno[2,3-d]pyrimidin-3-yl)-N-[3-(2-thiophen-2-ylethynyl)phenyl]propanamide Openeye Name: 3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[3-[2-(2-thienyl)ethynyl]phenyl]propanamide CAS Name: 3-(4-oxo-3-thieno[2,3-d]pyrimidinyl)-N-[3-(2-thiophen-2-ylethynyl)phenyl]propanamide IUPAC Name: 3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[3-(2-thiophen-2-ylethynyl)phenyl]propanamide Traditional Name: 3-(4-ketothieno[2,3-d]pyrimidin-3-yl)-N-[3-[2-(2-thienyl)ethynyl]phenyl]propionamide Formula: C21H15N3O2S2 MolecularWeight: 405.4927

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)CCN2C=NC3=C(C2=O)C=CS3)C#CC4=CC=CS4

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)CCN2C=NC3=C(C2=O)C=CS3)C#CC4=CC=CS4

InChI

InChI=1S/C21H15N3O2S2/c25-19(8-10-24-14-22-20-18(21(24)26)9-12-28-20)23-16-4-1-3-15(13-16)6-7-17-5-2-11-27-17/h1-5,9,11-14H,8,10H2,(H,23,25)