2-(7H-purin-6-ylsulfanyl)-N-[3-(trifluoromethyl)phenyl]ethanamide

Systemtic Name: 2-(7H-purin-6-ylsulfanyl)-N-[3-(trifluoromethyl)phenyl]ethanamide Openeye Name: 2-(7H-purin-6-ylsulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide CAS Name: 2-(7H-purin-6-ylthio)-N-[3-(trifluoromethyl)phenyl]acetamide IUPAC Name: 2-(7H-purin-6-ylsulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide Traditional Name: 2-(7H-purin-6-ylthio)-N-[3-(trifluoromethyl)phenyl]acetamide Formula: C14H10F3N5OS MolecularWeight: 353.32231

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)CSC2=NC=NC3=C2NC=N3)C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)CSC2=NC=NC3=C2NC=N3)C(F)(F)F

InChI

InChI=1S/C14H10F3N5OS/c15-14(16,17)8-2-1-3-9(4-8)22-10(23)5-24-13-11-12(19-6-18-11)20-7-21-13/h1-4,6-7H,5H2,(H,22,23)(H,18,19,20,21)