N-(4-oxidanylidene-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)-4-(2-phenylethynyl)benzamide

Systemtic Name: N-(4-oxidanylidene-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)-4-(2-phenylethynyl)benzamide Openeye Name: N-(4-oxo-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)-4-(2-phenylethynyl)benzamide CAS Name: N-(4-oxo-5-phenyl-3-thieno[2,3-d]pyrimidinyl)-4-(2-phenylethynyl)benzamide IUPAC Name: N-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-4-(2-phenylethynyl)benzamide Traditional Name: N-(4-keto-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)-4-(2-phenylethynyl)benzamide Formula: C27H17N3O2S MolecularWeight: 447.50778

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C#CC2=CC=C(C=C2)C(=O)NN3C=NC4=C(C3=O)C(=CS4)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C#CC2=CC=C(C=C2)C(=O)NN3C=NC4=C(C3=O)C(=CS4)C5=CC=CC=C5

InChI

InChI=1S/C27H17N3O2S/c31-25(22-15-13-20(14-16-22)12-11-19-7-3-1-4-8-19)29-30-18-28-26-24(27(30)32)23(17-33-26)21-9-5-2-6-10-21/h1-10,13-18H,(H,29,31)