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

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

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=C(C(=N1)NCC2=CC=CC=C2)[N+](=O)[O-])C#CC3=CC=CC=C3

Isomeric SMILES

CSC1=NC(=C(C(=N1)NCC2=CC=CC=C2)[N+](=O)[O-])C#CC3=CC=CC=C3

InChI

InChI=1S/C20H16N4O2S/c1-27-20-22-17(13-12-15-8-4-2-5-9-15)18(24(25)26)19(23-20)21-14-16-10-6-3-7-11-16/h2-11H,14H2,1H3,(H,21,22,23)