6-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-5H-purine

Systemtic Name: 6-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-5H-purine Openeye Name: 6-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-5H-purine CAS Name: 6-[(3-methyl-5-nitro-4-imidazolyl)thio]-5H-purine IUPAC Name: 6-(3-methyl-5-nitroimidazol-4-yl)sulfanyl-5H-purine Traditional Name: 6-[(3-methyl-5-nitro-imidazol-4-yl)thio]-5H-purine Formula: C9H7N7O2S MolecularWeight: 277.26258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC(=C1SC2=NC=NC3=NC=NC32)[N+](=O)[O-]

Isomeric SMILES

CN1C=NC(=C1SC2=NC=NC3=NC=NC32)[N+](=O)[O-]

InChI

InChI=1S/C9H7N7O2S/c1-15-4-14-7(16(17)18)9(15)19-8-5-6(11-2-10-5)12-3-13-8/h2-5H,1H3