8-[(5-bromanyl-2,1,3-benzothiadiazol-4-yl)methylsulfanyl]-7H-purin-6-amine

Systemtic Name: 8-[(5-bromanyl-2,1,3-benzothiadiazol-4-yl)methylsulfanyl]-7H-purin-6-amine Openeye Name: 8-[(5-bromo-2,1,3-benzothiadiazol-4-yl)methylsulfanyl]-7H-purin-6-amine CAS Name: 8-[(5-bromo-2,1,3-benzothiadiazol-4-yl)methylthio]-7H-purin-6-amine IUPAC Name: 8-[(5-bromo-2,1,3-benzothiadiazol-4-yl)methylsulfanyl]-7H-purin-6-amine Traditional Name: [8-[(5-bromopiazthiol-4-yl)methylthio]-7H-purin-6-yl]amine Formula: C12H8BrN7S2 MolecularWeight: 394.27282

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=NSN=C2C(=C1Br)CSC3=NC4=C(N3)C(=NC=N4)N

Isomeric SMILES

C1=CC2=NSN=C2C(=C1Br)CSC3=NC4=C(N3)C(=NC=N4)N

InChI

InChI=1S/C12H8BrN7S2/c13-6-1-2-7-8(20-22-19-7)5(6)3-21-12-17-9-10(14)15-4-16-11(9)18-12/h1-2,4H,3H2,(H3,14,15,16,17,18)