6-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-2,3,4,5,6,7-hexahydro-1H-purine

Systemtic Name: 6-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-2,3,4,5,6,7-hexahydro-1H-purine Openeye Name: 6-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-2,3,4,5,6,7-hexahydro-1H-purine CAS Name: 6-[(3-methyl-5-nitro-4-imidazolyl)thio]-2,3,4,5,6,7-hexahydro-1H-purine IUPAC Name: 6-(3-methyl-5-nitroimidazol-4-yl)sulfanyl-2,3,4,5,6,7-hexahydro-1H-purine Traditional Name: 6-[(3-methyl-5-nitro-imidazol-4-yl)thio]-2,3,4,5,6,7-hexahydro-1H-purine Formula: C9H13N7O2S MolecularWeight: 283.31022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC(=C1SC2C3C(NCN2)N=CN3)[N+](=O)[O-]

Isomeric SMILES

CN1C=NC(=C1SC2C3C(NCN2)N=CN3)[N+](=O)[O-]

InChI

InChI=1S/C9H13N7O2S/c1-15-4-14-7(16(17)18)9(15)19-8-5-6(11-2-10-5)12-3-13-8/h2,4-6,8,12-13H,3H2,1H3,(H,10,11)