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

Systemtic Name: 4-azanyl-2-methylsulfanyl-6-(2-phenylethynyl)pyrimidine-5-carbaldehyde Openeye Name: 4-amino-2-methylsulfanyl-6-(2-phenylethynyl)pyrimidine-5-carbaldehyde CAS Name: 4-amino-2-(methylthio)-6-(2-phenylethynyl)-5-pyrimidinecarboxaldehyde IUPAC Name: 4-amino-2-methylsulfanyl-6-(2-phenylethynyl)pyrimidine-5-carbaldehyde Traditional Name: 4-amino-2-(methylthio)-6-(2-phenylethynyl)pyrimidine-5-carbaldehyde Formula: C14H11N3OS MolecularWeight: 269.32164

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=C(C(=N1)N)C=O)C#CC2=CC=CC=C2

Isomeric SMILES

CSC1=NC(=C(C(=N1)N)C=O)C#CC2=CC=CC=C2

InChI

InChI=1S/C14H11N3OS/c1-19-14-16-12(11(9-18)13(15)17-14)8-7-10-5-3-2-4-6-10/h2-6,9H,1H3,(H2,15,16,17)