2-[2-azanyl-5-cyano-6-(methylamino)pyrimidin-4-yl]sulfanyl-N-[3-(trifluoromethyl)phenyl]ethanamide

Systemtic Name: 2-[2-azanyl-5-cyano-6-(methylamino)pyrimidin-4-yl]sulfanyl-N-[3-(trifluoromethyl)phenyl]ethanamide Openeye Name: 2-[2-amino-5-cyano-6-(methylamino)pyrimidin-4-yl]sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide CAS Name: 2-[[2-amino-5-cyano-6-(methylamino)-4-pyrimidinyl]thio]-N-[3-(trifluoromethyl)phenyl]acetamide IUPAC Name: 2-[2-amino-5-cyano-6-(methylamino)pyrimidin-4-yl]sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide Traditional Name: 2-[[2-amino-5-cyano-6-(methylamino)pyrimidin-4-yl]thio]-N-[3-(trifluoromethyl)phenyl]acetamide Formula: C15H13F3N6OS MolecularWeight: 382.36353

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C(=NC(=N1)N)SCC(=O)NC2=CC=CC(=C2)C(F)(F)F)C#N

Isomeric SMILES

CNC1=C(C(=NC(=N1)N)SCC(=O)NC2=CC=CC(=C2)C(F)(F)F)C#N

InChI

InChI=1S/C15H13F3N6OS/c1-21-12-10(6-19)13(24-14(20)23-12)26-7-11(25)22-9-4-2-3-8(5-9)15(16,17)18/h2-5H,7H2,1H3,(H,22,25)(H3,20,21,23,24)