1-(3-methyl-5-nitro-imidazol-4-yl)sulfanylpurine

Systemtic Name: 1-(3-methyl-5-nitro-imidazol-4-yl)sulfanylpurine Openeye Name: 1-(3-methyl-5-nitro-imidazol-4-yl)sulfanylpurine CAS Name: 1-[(3-methyl-5-nitro-4-imidazolyl)thio]purine IUPAC Name: 1-(3-methyl-5-nitroimidazol-4-yl)sulfanylpurine Traditional Name: 1-[(3-methyl-5-nitro-imidazol-4-yl)thio]purine Formula: C9H7N7O2S MolecularWeight: 277.26258

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC(=C1SN2C=C3C(=NC=N3)N=C2)[N+](=O)[O-]

Isomeric SMILES

CN1C=NC(=C1SN2C=C3C(=NC=N3)N=C2)[N+](=O)[O-]

InChI

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