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

Systemtic Name: 8-[(7-bromanyl-5-nitro-2,1,3-benzothiadiazol-4-yl)sulfanyl]-7H-purin-6-amine Openeye Name: 8-[(7-bromo-5-nitro-2,1,3-benzothiadiazol-4-yl)sulfanyl]-7H-purin-6-amine CAS Name: 8-[(7-bromo-5-nitro-2,1,3-benzothiadiazol-4-yl)thio]-7H-purin-6-amine IUPAC Name: 8-[(7-bromo-5-nitro-2,1,3-benzothiadiazol-4-yl)sulfanyl]-7H-purin-6-amine Traditional Name: [8-[(7-bromo-5-nitro-piazthiol-4-yl)thio]-7H-purin-6-yl]amine Formula: C11H5BrN8O2S2 MolecularWeight: 425.2438

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C2=NSN=C2C(=C1[N+](=O)[O-])SC3=NC4=C(N3)C(=NC=N4)N)Br

Isomeric SMILES

C1=C(C2=NSN=C2C(=C1[N+](=O)[O-])SC3=NC4=C(N3)C(=NC=N4)N)Br

InChI

InChI=1S/C11H5BrN8O2S2/c12-3-1-4(20(21)22)8(6-5(3)18-24-19-6)23-11-16-7-9(13)14-2-15-10(7)17-11/h1-2H,(H3,13,14,15,16,17)