N-(6-bromanyl-1,3-benzothiazol-2-yl)-2-(7H-purin-6-ylsulfanyl)ethanamide

Systemtic Name: N-(6-bromanyl-1,3-benzothiazol-2-yl)-2-(7H-purin-6-ylsulfanyl)ethanamide Openeye Name: N-(6-bromo-1,3-benzothiazol-2-yl)-2-(7H-purin-6-ylsulfanyl)acetamide CAS Name: N-(6-bromo-1,3-benzothiazol-2-yl)-2-(7H-purin-6-ylthio)acetamide IUPAC Name: N-(6-bromo-1,3-benzothiazol-2-yl)-2-(7H-purin-6-ylsulfanyl)acetamide Traditional Name: N-(6-bromo-1,3-benzothiazol-2-yl)-2-(7H-purin-6-ylthio)acetamide Formula: C14H9BrN6OS2 MolecularWeight: 421.29486

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Br)SC(=N2)NC(=O)CSC3=NC=NC4=C3NC=N4

Isomeric SMILES

C1=CC2=C(C=C1Br)SC(=N2)NC(=O)CSC3=NC=NC4=C3NC=N4

InChI

InChI=1S/C14H9BrN6OS2/c15-7-1-2-8-9(3-7)24-14(20-8)21-10(22)4-23-13-11-12(17-5-16-11)18-6-19-13/h1-3,5-6H,4H2,(H,20,21,22)(H,16,17,18,19)