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

Systemtic Name: 2-[3-(3-methylbutyl)-4-oxidanylidene-pteridin-2-yl]sulfanyl-N-[2-(trifluoromethyl)phenyl]ethanamide Openeye Name: 2-(3-isopentyl-4-oxo-pteridin-2-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide CAS Name: 2-[[3-(3-methylbutyl)-4-oxo-2-pteridinyl]thio]-N-[2-(trifluoromethyl)phenyl]acetamide IUPAC Name: 2-[3-(3-methylbutyl)-4-oxopteridin-2-yl]sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide Traditional Name: 2-[(3-isoamyl-4-keto-pteridin-2-yl)thio]-N-[2-(trifluoromethyl)phenyl]acetamide Formula: C20H20F3N5O2S MolecularWeight: 451.46531

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=NC=CN=C2N=C1SCC(=O)NC3=CC=CC=C3C(F)(F)F

Isomeric SMILES

CC(C)CCN1C(=O)C2=NC=CN=C2N=C1SCC(=O)NC3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C20H20F3N5O2S/c1-12(2)7-10-28-18(30)16-17(25-9-8-24-16)27-19(28)31-11-15(29)26-14-6-4-3-5-13(14)20(21,22)23/h3-6,8-9,12H,7,10-11H2,1-2H3,(H,26,29)