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

Systemtic Name: N-(4-acetamidophenyl)-2-[[2-(2-fluorophenyl)-7H-purin-6-yl]sulfanyl]ethanamide Openeye Name: N-(4-acetamidophenyl)-2-[[2-(2-fluorophenyl)-7H-purin-6-yl]sulfanyl]acetamide CAS Name: N-(4-acetamidophenyl)-2-[[2-(2-fluorophenyl)-7H-purin-6-yl]thio]acetamide IUPAC Name: N-(4-acetamidophenyl)-2-[[2-(2-fluorophenyl)-7H-purin-6-yl]sulfanyl]acetamide Traditional Name: N-(4-acetamidophenyl)-2-[[2-(2-fluorophenyl)-7H-purin-6-yl]thio]acetamide Formula: C21H17FN6O2S MolecularWeight: 436.462083

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC(=O)CSC2=NC(=NC3=C2NC=N3)C4=CC=CC=C4F

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC(=O)CSC2=NC(=NC3=C2NC=N3)C4=CC=CC=C4F

InChI

InChI=1S/C21H17FN6O2S/c1-12(29)25-13-6-8-14(9-7-13)26-17(30)10-31-21-18-20(24-11-23-18)27-19(28-21)15-4-2-3-5-16(15)22/h2-9,11H,10H2,1H3,(H,25,29)(H,26,30)(H,23,24,27,28)