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

Systemtic Name: 2-[2-azanyl-5-(hydroxymethyl)-6-methylsulfanyl-pyrimidin-4-yl]oxy-N-[3-(trifluoromethyl)phenyl]ethanamide Openeye Name: 2-[2-amino-5-(hydroxymethyl)-6-methylsulfanyl-pyrimidin-4-yl]oxy-N-[3-(trifluoromethyl)phenyl]acetamide CAS Name: 2-[[2-amino-5-(hydroxymethyl)-6-(methylthio)-4-pyrimidinyl]oxy]-N-[3-(trifluoromethyl)phenyl]acetamide IUPAC Name: 2-[2-amino-5-(hydroxymethyl)-6-methylsulfanylpyrimidin-4-yl]oxy-N-[3-(trifluoromethyl)phenyl]acetamide Traditional Name: 2-[2-amino-5-methylol-6-(methylthio)pyrimidin-4-yl]oxy-N-[3-(trifluoromethyl)phenyl]acetamide Formula: C15H15F3N4O3S MolecularWeight: 388.36481

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=NC(=C1CO)OCC(=O)NC2=CC=CC(=C2)C(F)(F)F)N

Isomeric SMILES

CSC1=NC(=NC(=C1CO)OCC(=O)NC2=CC=CC(=C2)C(F)(F)F)N

InChI

InChI=1S/C15H15F3N4O3S/c1-26-13-10(6-23)12(21-14(19)22-13)25-7-11(24)20-9-4-2-3-8(5-9)15(16,17)18/h2-5,23H,6-7H2,1H3,(H,20,24)(H2,19,21,22)