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

Systemtic Name: 4-nitro-5-(7H-purin-6-ylsulfanyl)-2,1,3-benzoselenadiazole Openeye Name: 4-nitro-5-(7H-purin-6-ylsulfanyl)-2,1,3-benzoselenadiazole CAS Name: 4-nitro-5-(7H-purin-6-ylthio)-2,1,3-benzoselenadiazole IUPAC Name: 4-nitro-5-(7H-purin-6-ylsulfanyl)-2,1,3-benzoselenadiazole Traditional Name: 4-nitro-5-(7H-purin-6-ylthio)piaselenole Formula: C11H5N7O2SSe MolecularWeight: 378.2281

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=N[Se]N=C2C(=C1SC3=NC=NC4=C3NC=N4)[N+](=O)[O-]

Isomeric SMILES

C1=CC2=N[Se]N=C2C(=C1SC3=NC=NC4=C3NC=N4)[N+](=O)[O-]

InChI

InChI=1S/C11H5N7O2SSe/c19-18(20)9-6(2-1-5-7(9)17-22-16-5)21-11-8-10(13-3-12-8)14-4-15-11/h1-4H,(H,12,13,14,15)