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

Systemtic Name: 2-(5-cyano-6-morpholin-4-yl-pyrimidin-4-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]ethanamide Openeye Name: 2-(5-cyano-6-morpholino-pyrimidin-4-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide CAS Name: 2-[[5-cyano-6-(4-morpholinyl)-4-pyrimidinyl]thio]-N-[3-(trifluoromethyl)phenyl]acetamide IUPAC Name: 2-(5-cyano-6-morpholin-4-ylpyrimidin-4-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide Traditional Name: 2-[(5-cyano-6-morpholino-pyrimidin-4-yl)thio]-N-[3-(trifluoromethyl)phenyl]acetamide Formula: C18H16F3N5O2S MolecularWeight: 423.41215

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C(=NC=N2)SCC(=O)NC3=CC=CC(=C3)C(F)(F)F)C#N

Isomeric SMILES

C1COCCN1C2=C(C(=NC=N2)SCC(=O)NC3=CC=CC(=C3)C(F)(F)F)C#N

InChI

InChI=1S/C18H16F3N5O2S/c19-18(20,21)12-2-1-3-13(8-12)25-15(27)10-29-17-14(9-22)16(23-11-24-17)26-4-6-28-7-5-26/h1-3,8,11H,4-7,10H2,(H,25,27)