2-[(6-azanyl-7H-purin-8-yl)sulfanyl]-N-(4-bromophenyl)ethanamide

Systemtic Name: 2-[(6-azanyl-7H-purin-8-yl)sulfanyl]-N-(4-bromophenyl)ethanamide Openeye Name: 2-[(6-amino-7H-purin-8-yl)sulfanyl]-N-(4-bromophenyl)acetamide CAS Name: 2-[(6-amino-7H-purin-8-yl)thio]-N-(4-bromophenyl)acetamide IUPAC Name: 2-[(6-amino-7H-purin-8-yl)sulfanyl]-N-(4-bromophenyl)acetamide Traditional Name: 2-[(6-amino-7H-purin-8-yl)thio]-N-(4-bromophenyl)acetamide Formula: C13H11BrN6OS MolecularWeight: 379.23504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11BrN6OS/c14-7-1-3-8(4-2-7)18-9(21)5-22-13-19-10-11(15)16-6-17-12(10)20-13/h1-4,6H,5H2,(H,18,21)(H3,15,16,17,19,20)