2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-N-[[4-(trifluoromethyloxy)phenyl]methyl]ethanamide

Systemtic Name: 2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-N-[[4-(trifluoromethyloxy)phenyl]methyl]ethanamide Openeye Name: 2-(4-amino-5-cyano-pyrimidin-2-yl)sulfanyl-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide CAS Name: 2-[(4-amino-5-cyano-2-pyrimidinyl)thio]-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide IUPAC Name: 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide Traditional Name: 2-[(4-amino-5-cyano-pyrimidin-2-yl)thio]-N-[4-(trifluoromethoxy)benzyl]acetamide Formula: C15H12F3N5O2S MolecularWeight: 383.34829

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=O)CSC2=NC=C(C(=N2)N)C#N)OC(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1CNC(=O)CSC2=NC=C(C(=N2)N)C#N)OC(F)(F)F

InChI

InChI=1S/C15H12F3N5O2S/c16-15(17,18)25-11-3-1-9(2-4-11)6-21-12(24)8-26-14-22-7-10(5-19)13(20)23-14/h1-4,7H,6,8H2,(H,21,24)(H2,20,22,23)