4-(7H-purin-6-ylsulfanylmethyl)-N-[2-(trifluoromethyl)phenyl]benzamide

Systemtic Name: 4-(7H-purin-6-ylsulfanylmethyl)-N-[2-(trifluoromethyl)phenyl]benzamide Openeye Name: 4-(7H-purin-6-ylsulfanylmethyl)-N-[2-(trifluoromethyl)phenyl]benzamide CAS Name: 4-[(7H-purin-6-ylthio)methyl]-N-[2-(trifluoromethyl)phenyl]benzamide IUPAC Name: 4-(7H-purin-6-ylsulfanylmethyl)-N-[2-(trifluoromethyl)phenyl]benzamide Traditional Name: 4-[(7H-purin-6-ylthio)methyl]-N-[2-(trifluoromethyl)phenyl]benzamide Formula: C20H14F3N5OS MolecularWeight: 429.41827

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(F)(F)F)NC(=O)C2=CC=C(C=C2)CSC3=NC=NC4=C3NC=N4

Isomeric SMILES

C1=CC=C(C(=C1)C(F)(F)F)NC(=O)C2=CC=C(C=C2)CSC3=NC=NC4=C3NC=N4

InChI

InChI=1S/C20H14F3N5OS/c21-20(22,23)14-3-1-2-4-15(14)28-18(29)13-7-5-12(6-8-13)9-30-19-16-17(25-10-24-16)26-11-27-19/h1-8,10-11H,9H2,(H,28,29)(H,24,25,26,27)