2-(4-oxidanylidene-3-phenethyl-pteridin-2-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]ethanamide

Systemtic Name: 2-(4-oxidanylidene-3-phenethyl-pteridin-2-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]ethanamide Openeye Name: 2-(4-oxo-3-phenethyl-pteridin-2-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide CAS Name: 2-[(4-oxo-3-phenethyl-2-pteridinyl)thio]-N-[3-(trifluoromethyl)phenyl]acetamide IUPAC Name: 2-(4-oxo-3-phenethylpteridin-2-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide Traditional Name: 2-[(4-keto-3-phenethyl-pteridin-2-yl)thio]-N-[3-(trifluoromethyl)phenyl]acetamide Formula: C23H18F3N5O2S MolecularWeight: 485.48153

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=O)C3=NC=CN=C3N=C2SCC(=O)NC4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=O)C3=NC=CN=C3N=C2SCC(=O)NC4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C23H18F3N5O2S/c24-23(25,26)16-7-4-8-17(13-16)29-18(32)14-34-22-30-20-19(27-10-11-28-20)21(33)31(22)12-9-15-5-2-1-3-6-15/h1-8,10-11,13H,9,12,14H2,(H,29,32)