N-(2-ethyl-6-methyl-phenyl)-2-[[2-(2-fluorophenyl)-7H-purin-6-yl]sulfanyl]ethanamide

Systemtic Name: N-(2-ethyl-6-methyl-phenyl)-2-[[2-(2-fluorophenyl)-7H-purin-6-yl]sulfanyl]ethanamide Openeye Name: N-(2-ethyl-6-methyl-phenyl)-2-[[2-(2-fluorophenyl)-7H-purin-6-yl]sulfanyl]acetamide CAS Name: N-(2-ethyl-6-methylphenyl)-2-[[2-(2-fluorophenyl)-7H-purin-6-yl]thio]acetamide IUPAC Name: N-(2-ethyl-6-methylphenyl)-2-[[2-(2-fluorophenyl)-7H-purin-6-yl]sulfanyl]acetamide Traditional Name: N-(2-ethyl-6-methyl-phenyl)-2-[[2-(2-fluorophenyl)-7H-purin-6-yl]thio]acetamide Formula: C22H20FN5OS MolecularWeight: 421.490503

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)CSC2=NC(=NC3=C2NC=N3)C4=CC=CC=C4F)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)CSC2=NC(=NC3=C2NC=N3)C4=CC=CC=C4F)C

InChI

InChI=1S/C22H20FN5OS/c1-3-14-8-6-7-13(2)18(14)26-17(29)11-30-22-19-21(25-12-24-19)27-20(28-22)15-9-4-5-10-16(15)23/h4-10,12H,3,11H2,1-2H3,(H,26,29)(H,24,25,27,28)