2-methylsulfanyl-4-phenylazanyl-6-(2-phenylethynyl)pyrimidine-5-carbaldehyde

Systemtic Name: 2-methylsulfanyl-4-phenylazanyl-6-(2-phenylethynyl)pyrimidine-5-carbaldehyde Openeye Name: 4-anilino-2-methylsulfanyl-6-(2-phenylethynyl)pyrimidine-5-carbaldehyde CAS Name: 4-anilino-2-(methylthio)-6-(2-phenylethynyl)-5-pyrimidinecarboxaldehyde IUPAC Name: 4-anilino-2-methylsulfanyl-6-(2-phenylethynyl)pyrimidine-5-carbaldehyde Traditional Name: 4-anilino-2-(methylthio)-6-(2-phenylethynyl)pyrimidine-5-carbaldehyde Formula: C20H15N3OS MolecularWeight: 345.4176

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=C(C(=N1)NC2=CC=CC=C2)C=O)C#CC3=CC=CC=C3

Isomeric SMILES

CSC1=NC(=C(C(=N1)NC2=CC=CC=C2)C=O)C#CC3=CC=CC=C3

InChI

InChI=1S/C20H15N3OS/c1-25-20-22-18(13-12-15-8-4-2-5-9-15)17(14-24)19(23-20)21-16-10-6-3-7-11-16/h2-11,14H,1H3,(H,21,22,23)