2-methylsulfanyl-4-morpholin-4-yl-6-(2-phenylethynyl)pyrimidine-5-carbaldehyde

Systemtic Name: 2-methylsulfanyl-4-morpholin-4-yl-6-(2-phenylethynyl)pyrimidine-5-carbaldehyde Openeye Name: 2-methylsulfanyl-4-morpholino-6-(2-phenylethynyl)pyrimidine-5-carbaldehyde CAS Name: 2-(methylthio)-4-(4-morpholinyl)-6-(2-phenylethynyl)-5-pyrimidinecarboxaldehyde IUPAC Name: 2-methylsulfanyl-4-morpholin-4-yl-6-(2-phenylethynyl)pyrimidine-5-carbaldehyde Traditional Name: 2-(methylthio)-4-morpholino-6-(2-phenylethynyl)pyrimidine-5-carbaldehyde Formula: C18H17N3O2S MolecularWeight: 339.41148

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=C(C(=N1)N2CCOCC2)C=O)C#CC3=CC=CC=C3

Isomeric SMILES

CSC1=NC(=C(C(=N1)N2CCOCC2)C=O)C#CC3=CC=CC=C3

InChI

InChI=1S/C18H17N3O2S/c1-24-18-19-16(8-7-14-5-3-2-4-6-14)15(13-22)17(20-18)21-9-11-23-12-10-21/h2-6,13H,9-12H2,1H3