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

Systemtic Name: 2-[(2-azanyl-5-cyano-6-methylsulfanyl-pyrimidin-4-yl)-methyl-amino]-N-[3-(trifluoromethyl)phenyl]ethanamide Openeye Name: 2-[(2-amino-5-cyano-6-methylsulfanyl-pyrimidin-4-yl)-methyl-amino]-N-[3-(trifluoromethyl)phenyl]acetamide CAS Name: 2-[[2-amino-5-cyano-6-(methylthio)-4-pyrimidinyl]-methylamino]-N-[3-(trifluoromethyl)phenyl]acetamide IUPAC Name: 2-[(2-amino-5-cyano-6-methylsulfanylpyrimidin-4-yl)-methylamino]-N-[3-(trifluoromethyl)phenyl]acetamide Traditional Name: 2-[[2-amino-5-cyano-6-(methylthio)pyrimidin-4-yl]-methyl-amino]-N-[3-(trifluoromethyl)phenyl]acetamide Formula: C16H15F3N6OS MolecularWeight: 396.39011

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=CC=CC(=C1)C(F)(F)F)C2=C(C(=NC(=N2)N)SC)C#N

Isomeric SMILES

CN(CC(=O)NC1=CC=CC(=C1)C(F)(F)F)C2=C(C(=NC(=N2)N)SC)C#N

InChI

InChI=1S/C16H15F3N6OS/c1-25(13-11(7-20)14(27-2)24-15(21)23-13)8-12(26)22-10-5-3-4-9(6-10)16(17,18)19/h3-6H,8H2,1-2H3,(H,22,26)(H2,21,23,24)