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

Systemtic Name: 2-[(2-azanyl-5-cyano-6-methylsulfanyl-pyrimidin-4-yl)amino]-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide Openeye Name: 2-[(2-amino-5-cyano-6-methylsulfanyl-pyrimidin-4-yl)amino]-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide CAS Name: 2-[[2-amino-5-cyano-6-(methylthio)-4-pyrimidinyl]amino]-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide IUPAC Name: 2-[(2-amino-5-cyano-6-methylsulfanylpyrimidin-4-yl)amino]-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide Traditional Name: 2-[[2-amino-5-cyano-6-(methylthio)pyrimidin-4-yl]amino]-2-methyl-N-[3-(trifluoromethyl)phenyl]propionamide Formula: C17H17F3N6OS MolecularWeight: 410.41669

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)NC1=CC=CC(=C1)C(F)(F)F)NC2=C(C(=NC(=N2)N)SC)C#N

Isomeric SMILES

CC(C)(C(=O)NC1=CC=CC(=C1)C(F)(F)F)NC2=C(C(=NC(=N2)N)SC)C#N

InChI

InChI=1S/C17H17F3N6OS/c1-16(2,26-12-11(8-21)13(28-3)25-15(22)24-12)14(27)23-10-6-4-5-9(7-10)17(18,19)20/h4-7H,1-3H3,(H,23,27)(H3,22,24,25,26)