2-[(6-azanyl-7H-purin-8-yl)sulfanyl]-N-[2,6-bis(fluoranyl)phenyl]ethanamide

Systemtic Name: 2-[(6-azanyl-7H-purin-8-yl)sulfanyl]-N-[2,6-bis(fluoranyl)phenyl]ethanamide Openeye Name: 2-[(6-amino-7H-purin-8-yl)sulfanyl]-N-(2,6-difluorophenyl)acetamide CAS Name: 2-[(6-amino-7H-purin-8-yl)thio]-N-(2,6-difluorophenyl)acetamide IUPAC Name: 2-[(6-amino-7H-purin-8-yl)sulfanyl]-N-(2,6-difluorophenyl)acetamide Traditional Name: 2-[(6-amino-7H-purin-8-yl)thio]-N-(2,6-difluorophenyl)acetamide Formula: C13H10F2N6OS MolecularWeight: 336.319906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H10F2N6OS/c14-6-2-1-3-7(15)9(6)19-8(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)