2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-N-[2,2,2-tris(fluoranyl)ethylcarbamoyl]ethanamide

Systemtic Name: 2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-N-[2,2,2-tris(fluoranyl)ethylcarbamoyl]ethanamide Openeye Name: 2-(4-amino-5-cyano-pyrimidin-2-yl)sulfanyl-N-(2,2,2-trifluoroethylcarbamoyl)acetamide CAS Name: 2-[(4-amino-5-cyano-2-pyrimidinyl)thio]-N-[oxo-(2,2,2-trifluoroethylamino)methyl]acetamide IUPAC Name: 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(2,2,2-trifluoroethylcarbamoyl)acetamide Traditional Name: 2-[(4-amino-5-cyano-pyrimidin-2-yl)thio]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide Formula: C10H9F3N6O2S MolecularWeight: 334.27767

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=NC(=N1)SCC(=O)NC(=O)NCC(F)(F)F)N)C#N

Isomeric SMILES

C1=C(C(=NC(=N1)SCC(=O)NC(=O)NCC(F)(F)F)N)C#N

InChI

InChI=1S/C10H9F3N6O2S/c11-10(12,13)4-17-8(21)18-6(20)3-22-9-16-2-5(1-14)7(15)19-9/h2H,3-4H2,(H2,15,16,19)(H2,17,18,20,21)