2-[(2-chloranyl-7H-purin-6-yl)sulfanyl]-N-[4-(trifluoromethyloxy)phenyl]ethanamide

Systemtic Name: 2-[(2-chloranyl-7H-purin-6-yl)sulfanyl]-N-[4-(trifluoromethyloxy)phenyl]ethanamide Openeye Name: 2-[(2-chloro-7H-purin-6-yl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide CAS Name: 2-[(2-chloro-7H-purin-6-yl)thio]-N-[4-(trifluoromethoxy)phenyl]acetamide IUPAC Name: 2-[(2-chloro-7H-purin-6-yl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide Traditional Name: 2-[(2-chloro-7H-purin-6-yl)thio]-N-[4-(trifluoromethoxy)phenyl]acetamide Formula: C14H9ClF3N5O2S MolecularWeight: 403.76677

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)CSC2=NC(=NC3=C2NC=N3)Cl)OC(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1NC(=O)CSC2=NC(=NC3=C2NC=N3)Cl)OC(F)(F)F

InChI

InChI=1S/C14H9ClF3N5O2S/c15-13-22-11-10(19-6-20-11)12(23-13)26-5-9(24)21-7-1-3-8(4-2-7)25-14(16,17)18/h1-4,6H,5H2,(H,21,24)(H,19,20,22,23)