2-methylsulfanyl-5-nitro-4-(2-phenylethynyl)-6-pyrrolidin-1-yl-pyrimidine

Systemtic Name: 2-methylsulfanyl-5-nitro-4-(2-phenylethynyl)-6-pyrrolidin-1-yl-pyrimidine Openeye Name: 2-methylsulfanyl-5-nitro-4-(2-phenylethynyl)-6-pyrrolidin-1-yl-pyrimidine CAS Name: 2-(methylthio)-5-nitro-4-(2-phenylethynyl)-6-(1-pyrrolidinyl)pyrimidine IUPAC Name: 2-methylsulfanyl-5-nitro-4-(2-phenylethynyl)-6-pyrrolidin-1-ylpyrimidine Traditional Name: 2-(methylthio)-5-nitro-4-(2-phenylethynyl)-6-pyrrolidino-pyrimidine Formula: C17H16N4O2S MolecularWeight: 340.39954

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=C(C(=N1)N2CCCC2)[N+](=O)[O-])C#CC3=CC=CC=C3

Isomeric SMILES

CSC1=NC(=C(C(=N1)N2CCCC2)[N+](=O)[O-])C#CC3=CC=CC=C3

InChI

InChI=1S/C17H16N4O2S/c1-24-17-18-14(10-9-13-7-3-2-4-8-13)15(21(22)23)16(19-17)20-11-5-6-12-20/h2-4,7-8H,5-6,11-12H2,1H3