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

Systemtic Name: 6-[(7-nitro-2,1,3-benzoxadiazol-4-yl)sulfanyl]-5H-purin-2-amine Openeye Name: 6-[(7-nitro-2,1,3-benzoxadiazol-4-yl)sulfanyl]-5H-purin-2-amine CAS Name: 6-[(7-nitro-2,1,3-benzoxadiazol-4-yl)thio]-5H-purin-2-amine IUPAC Name: 6-[(7-nitro-2,1,3-benzoxadiazol-4-yl)sulfanyl]-5H-purin-2-amine Traditional Name: [6-[(7-nitrobenzofurazan-4-yl)thio]-5H-purin-2-yl]amine Formula: C11H6N8O3S MolecularWeight: 330.28214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H6N8O3S/c12-11-15-9-8(13-3-14-9)10(16-11)23-5-2-1-4(19(20)21)6-7(5)18-22-17-6/h1-3,8H,(H2,12,13,14,15)