7-bromanyl-5-nitro-4-(7H-purin-6-ylsulfanyl)-2,1,3-benzothiadiazole

Systemtic Name: 7-bromanyl-5-nitro-4-(7H-purin-6-ylsulfanyl)-2,1,3-benzothiadiazole Openeye Name: 7-bromo-5-nitro-4-(7H-purin-6-ylsulfanyl)-2,1,3-benzothiadiazole CAS Name: 7-bromo-5-nitro-4-(7H-purin-6-ylthio)-2,1,3-benzothiadiazole IUPAC Name: 7-bromo-5-nitro-4-(7H-purin-6-ylsulfanyl)-2,1,3-benzothiadiazole Traditional Name: 7-bromo-5-nitro-4-(7H-purin-6-ylthio)piazthiole Formula: C11H4BrN7O2S2 MolecularWeight: 410.22916

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C2=NSN=C2C(=C1[N+](=O)[O-])SC3=NC=NC4=C3NC=N4)Br

Isomeric SMILES

C1=C(C2=NSN=C2C(=C1[N+](=O)[O-])SC3=NC=NC4=C3NC=N4)Br

InChI

InChI=1S/C11H4BrN7O2S2/c12-4-1-5(19(20)21)9(7-6(4)17-23-18-7)22-11-8-10(14-2-13-8)15-3-16-11/h1-3H,(H,13,14,15,16)