sodium 6-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-7H-purine

Systemtic Name: sodium 6-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-7H-purine Openeye Name: sodium 6-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-7H-purine CAS Name: sodium 6-[(3-methyl-5-nitro-4-imidazolyl)thio]-7H-purine IUPAC Name: sodium 6-(3-methyl-5-nitroimidazol-4-yl)sulfanyl-7H-purine Traditional Name: sodium 6-[(3-methyl-5-nitro-imidazol-4-yl)thio]-7H-purine Formula: C9H7N7NaO2S+ MolecularWeight: 300.25235

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC(=C1SC2=NC=NC3=C2NC=N3)[N+](=O)[O-].[Na+]

Isomeric SMILES

CN1C=NC(=C1SC2=NC=NC3=C2NC=N3)[N+](=O)[O-].[Na+]

InChI

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