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

Systemtic Name: 7-nitro-4-(5H-purin-6-ylsulfanyl)-2,1,3-benzoxadiazole Openeye Name: 7-nitro-4-(5H-purin-6-ylsulfanyl)-2,1,3-benzoxadiazole CAS Name: 7-nitro-4-(5H-purin-6-ylthio)-2,1,3-benzoxadiazole IUPAC Name: 7-nitro-4-(5H-purin-6-ylsulfanyl)-2,1,3-benzoxadiazole Traditional Name: 4-nitro-7-(5H-purin-6-ylthio)benzofurazan Formula: C11H5N7O3S MolecularWeight: 315.2675

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(C2=NON=C2C(=C1)SC3=NC=NC4=NC=NC43)[N+](=O)[O-]

Isomeric SMILES

C1=C(C2=NON=C2C(=C1)SC3=NC=NC4=NC=NC43)[N+](=O)[O-]

InChI

InChI=1S/C11H5N7O3S/c19-18(20)5-1-2-6(8-7(5)16-21-17-8)22-11-9-10(13-3-12-9)14-4-15-11/h1-4,9H