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

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

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=NC(=C1C#N)NCC(=O)NC2=CC=CC(=C2)C(F)(F)F)N

Isomeric SMILES

CSC1=NC(=NC(=C1C#N)NCC(=O)NC2=CC=CC(=C2)C(F)(F)F)N

InChI

InChI=1S/C15H13F3N6OS/c1-26-13-10(6-19)12(23-14(20)24-13)21-7-11(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)