N-[2-chloranyl-5-(trifluoromethyl)phenyl]-2-(7H-purin-6-ylsulfanyl)ethanamide

Systemtic Name: N-[2-chloranyl-5-(trifluoromethyl)phenyl]-2-(7H-purin-6-ylsulfanyl)ethanamide Openeye Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(7H-purin-6-ylsulfanyl)acetamide CAS Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(7H-purin-6-ylthio)acetamide IUPAC Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(7H-purin-6-ylsulfanyl)acetamide Traditional Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(7H-purin-6-ylthio)acetamide Formula: C14H9ClF3N5OS MolecularWeight: 387.76737

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(F)(F)F)NC(=O)CSC2=NC=NC3=C2NC=N3)Cl

Isomeric SMILES

C1=CC(=C(C=C1C(F)(F)F)NC(=O)CSC2=NC=NC3=C2NC=N3)Cl

InChI

InChI=1S/C14H9ClF3N5OS/c15-8-2-1-7(14(16,17)18)3-9(8)23-10(24)4-25-13-11-12(20-5-19-11)21-6-22-13/h1-3,5-6H,4H2,(H,23,24)(H,19,20,21,22)