N-methyl-2-methylsulfanyl-5-nitro-N-phenyl-6-(2-phenylethynyl)pyrimidin-4-amine

Systemtic Name: N-methyl-2-methylsulfanyl-5-nitro-N-phenyl-6-(2-phenylethynyl)pyrimidin-4-amine Openeye Name: N-methyl-2-methylsulfanyl-5-nitro-N-phenyl-6-(2-phenylethynyl)pyrimidin-4-amine CAS Name: N-methyl-2-(methylthio)-5-nitro-N-phenyl-6-(2-phenylethynyl)-4-pyrimidinamine IUPAC Name: N-methyl-2-methylsulfanyl-5-nitro-N-phenyl-6-(2-phenylethynyl)pyrimidin-4-amine Traditional Name: methyl-[2-(methylthio)-5-nitro-6-(2-phenylethynyl)pyrimidin-4-yl]-phenyl-amine Formula: C20H16N4O2S MolecularWeight: 376.43164

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1)C2=NC(=NC(=C2[N+](=O)[O-])C#CC3=CC=CC=C3)SC

Isomeric SMILES

CN(C1=CC=CC=C1)C2=NC(=NC(=C2[N+](=O)[O-])C#CC3=CC=CC=C3)SC

InChI

InChI=1S/C20H16N4O2S/c1-23(16-11-7-4-8-12-16)19-18(24(25)26)17(21-20(22-19)27-2)14-13-15-9-5-3-6-10-15/h3-12H,1-2H3