4-oxidanylidene-N-[3-(2-thiophen-2-ylethynyl)phenyl]pyrido[1,2-a]pyrimidine-3-carboxamide

Systemtic Name: 4-oxidanylidene-N-[3-(2-thiophen-2-ylethynyl)phenyl]pyrido[1,2-a]pyrimidine-3-carboxamide Openeye Name: 4-oxo-N-[3-[2-(2-thienyl)ethynyl]phenyl]pyrido[1,2-a]pyrimidine-3-carboxamide CAS Name: 4-oxo-N-[3-(2-thiophen-2-ylethynyl)phenyl]-3-pyrido[1,2-a]pyrimidinecarboxamide IUPAC Name: 4-oxo-N-[3-(2-thiophen-2-ylethynyl)phenyl]pyrido[1,2-a]pyrimidine-3-carboxamide Traditional Name: 4-keto-N-[3-[2-(2-thienyl)ethynyl]phenyl]pyrido[1,2-a]pyrimidine-3-carboxamide Formula: C21H13N3O2S MolecularWeight: 371.41182

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=NC=C(C(=O)N2C=C1)C(=O)NC3=CC=CC(=C3)C#CC4=CC=CS4

Isomeric SMILES

C1=CC2=NC=C(C(=O)N2C=C1)C(=O)NC3=CC=CC(=C3)C#CC4=CC=CS4

InChI

InChI=1S/C21H13N3O2S/c25-20(18-14-22-19-8-1-2-11-24(19)21(18)26)23-16-6-3-5-15(13-16)9-10-17-7-4-12-27-17/h1-8,11-14H,(H,23,25)