2-(7H-purin-6-ylsulfanyl)-N-[5-(trifluoromethyl)thiophen-2-yl]ethanamide

Systemtic Name: 2-(7H-purin-6-ylsulfanyl)-N-[5-(trifluoromethyl)thiophen-2-yl]ethanamide Openeye Name: 2-(7H-purin-6-ylsulfanyl)-N-[5-(trifluoromethyl)-2-thienyl]acetamide CAS Name: 2-(7H-purin-6-ylthio)-N-[5-(trifluoromethyl)-2-thiophenyl]acetamide IUPAC Name: 2-(7H-purin-6-ylsulfanyl)-N-[5-(trifluoromethyl)thiophen-2-yl]acetamide Traditional Name: 2-(7H-purin-6-ylthio)-N-[5-(trifluoromethyl)-2-thienyl]acetamide Formula: C12H8F3N5OS2 MolecularWeight: 359.35003

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H8F3N5OS2/c13-12(14,15)6-1-2-8(23-6)20-7(21)3-22-11-9-10(17-4-16-9)18-5-19-11/h1-2,4-5H,3H2,(H,20,21)(H,16,17,18,19)