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

Systemtic Name: 2-[4-oxidanylidene-3-(3-propan-2-yloxypropyl)pteridin-2-yl]sulfanyl-N-[2-(trifluoromethyl)phenyl]ethanamide Openeye Name: 2-[3-(3-isopropoxypropyl)-4-oxo-pteridin-2-yl]sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide CAS Name: 2-[[4-oxo-3-(3-propan-2-yloxypropyl)-2-pteridinyl]thio]-N-[2-(trifluoromethyl)phenyl]acetamide IUPAC Name: 2-[4-oxo-3-(3-propan-2-yloxypropyl)pteridin-2-yl]sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide Traditional Name: 2-[[3-(3-isopropoxypropyl)-4-keto-pteridin-2-yl]thio]-N-[2-(trifluoromethyl)phenyl]acetamide Formula: C21H22F3N5O3S MolecularWeight: 481.49129

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCCN1C(=O)C2=NC=CN=C2N=C1SCC(=O)NC3=CC=CC=C3C(F)(F)F

Isomeric SMILES

CC(C)OCCCN1C(=O)C2=NC=CN=C2N=C1SCC(=O)NC3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C21H22F3N5O3S/c1-13(2)32-11-5-10-29-19(31)17-18(26-9-8-25-17)28-20(29)33-12-16(30)27-15-7-4-3-6-14(15)21(22,23)24/h3-4,6-9,13H,5,10-12H2,1-2H3,(H,27,30)