2-[[2-(2-fluorophenyl)-7H-purin-6-yl]sulfanyl]-N-(4-propan-2-ylphenyl)ethanamide

Systemtic Name: 2-[[2-(2-fluorophenyl)-7H-purin-6-yl]sulfanyl]-N-(4-propan-2-ylphenyl)ethanamide Openeye Name: 2-[[2-(2-fluorophenyl)-7H-purin-6-yl]sulfanyl]-N-(4-isopropylphenyl)acetamide CAS Name: 2-[[2-(2-fluorophenyl)-7H-purin-6-yl]thio]-N-(4-propan-2-ylphenyl)acetamide IUPAC Name: 2-[[2-(2-fluorophenyl)-7H-purin-6-yl]sulfanyl]-N-(4-propan-2-ylphenyl)acetamide Traditional Name: 2-[[2-(2-fluorophenyl)-7H-purin-6-yl]thio]-N-p-cumenyl-acetamide Formula: C22H20FN5OS MolecularWeight: 421.490503

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC(=O)CSC2=NC(=NC3=C2NC=N3)C4=CC=CC=C4F

Isomeric SMILES

CC(C)C1=CC=C(C=C1)NC(=O)CSC2=NC(=NC3=C2NC=N3)C4=CC=CC=C4F

InChI

InChI=1S/C22H20FN5OS/c1-13(2)14-7-9-15(10-8-14)26-18(29)11-30-22-19-21(25-12-24-19)27-20(28-22)16-5-3-4-6-17(16)23/h3-10,12-13H,11H2,1-2H3,(H,26,29)(H,24,25,27,28)