2-[(6-azanyl-7H-purin-8-yl)sulfanyl]-N-(3-chloranyl-4-fluoranyl-phenyl)ethanamide

Systemtic Name: 2-[(6-azanyl-7H-purin-8-yl)sulfanyl]-N-(3-chloranyl-4-fluoranyl-phenyl)ethanamide Openeye Name: 2-[(6-amino-7H-purin-8-yl)sulfanyl]-N-(3-chloro-4-fluoro-phenyl)acetamide CAS Name: 2-[(6-amino-7H-purin-8-yl)thio]-N-(3-chloro-4-fluorophenyl)acetamide IUPAC Name: 2-[(6-amino-7H-purin-8-yl)sulfanyl]-N-(3-chloro-4-fluorophenyl)acetamide Traditional Name: 2-[(6-amino-7H-purin-8-yl)thio]-N-(3-chloro-4-fluoro-phenyl)acetamide Formula: C13H10ClFN6OS MolecularWeight: 352.774503

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC(=O)CSC2=NC3=C(N2)C(=NC=N3)N)Cl)F

Isomeric SMILES

C1=CC(=C(C=C1NC(=O)CSC2=NC3=C(N2)C(=NC=N3)N)Cl)F

InChI

InChI=1S/C13H10ClFN6OS/c14-7-3-6(1-2-8(7)15)19-9(22)4-23-13-20-10-11(16)17-5-18-12(10)21-13/h1-3,5H,4H2,(H,19,22)(H3,16,17,18,20,21)