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

Systemtic Name: 2-[4-oxidanylidene-3-(oxolan-2-ylmethyl)pteridin-2-yl]sulfanyl-N-[3-(trifluoromethyl)phenyl]ethanamide Openeye Name: 2-[4-oxo-3-(tetrahydrofuran-2-ylmethyl)pteridin-2-yl]sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide CAS Name: 2-[[4-oxo-3-(2-oxolanylmethyl)-2-pteridinyl]thio]-N-[3-(trifluoromethyl)phenyl]acetamide IUPAC Name: 2-[4-oxo-3-(oxolan-2-ylmethyl)pteridin-2-yl]sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide Traditional Name: 2-[[4-keto-3-(tetrahydrofurfuryl)pteridin-2-yl]thio]-N-[3-(trifluoromethyl)phenyl]acetamide Formula: C20H18F3N5O3S MolecularWeight: 465.44883

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN2C(=O)C3=NC=CN=C3N=C2SCC(=O)NC4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

C1CC(OC1)CN2C(=O)C3=NC=CN=C3N=C2SCC(=O)NC4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C20H18F3N5O3S/c21-20(22,23)12-3-1-4-13(9-12)26-15(29)11-32-19-27-17-16(24-6-7-25-17)18(30)28(19)10-14-5-2-8-31-14/h1,3-4,6-7,9,14H,2,5,8,10-11H2,(H,26,29)