N-[5-[(3-bromophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-(7H-purin-6-ylsulfanyl)ethanamide

Systemtic Name: N-[5-[(3-bromophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-(7H-purin-6-ylsulfanyl)ethanamide Openeye Name: N-[5-[(3-bromophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-(7H-purin-6-ylsulfanyl)acetamide CAS Name: N-[5-[(3-bromophenyl)methylthio]-1,3,4-thiadiazol-2-yl]-2-(7H-purin-6-ylthio)acetamide IUPAC Name: N-[5-[(3-bromophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-(7H-purin-6-ylsulfanyl)acetamide Traditional Name: N-[5-[(3-bromobenzyl)thio]-1,3,4-thiadiazol-2-yl]-2-(7H-purin-6-ylthio)acetamide Formula: C16H12BrN7OS3 MolecularWeight: 494.41178

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)CSC2=NN=C(S2)NC(=O)CSC3=NC=NC4=C3NC=N4

Isomeric SMILES

C1=CC(=CC(=C1)Br)CSC2=NN=C(S2)NC(=O)CSC3=NC=NC4=C3NC=N4

InChI

InChI=1S/C16H12BrN7OS3/c17-10-3-1-2-9(4-10)5-27-16-24-23-15(28-16)22-11(25)6-26-14-12-13(19-7-18-12)20-8-21-14/h1-4,7-8H,5-6H2,(H,22,23,25)(H,18,19,20,21)