6-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-5H-purin-2-amine

Systemtic Name: 6-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-5H-purin-2-amine Openeye Name: 6-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-5H-purin-2-amine CAS Name: 6-[(3-methyl-5-nitro-4-imidazolyl)thio]-5H-purin-2-amine IUPAC Name: 6-(3-methyl-5-nitroimidazol-4-yl)sulfanyl-5H-purin-2-amine Traditional Name: [6-[(3-methyl-5-nitro-imidazol-4-yl)thio]-5H-purin-2-yl]amine Formula: C9H8N8O2S MolecularWeight: 292.27722

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H8N8O2S/c1-16-3-13-6(17(18)19)8(16)20-7-4-5(12-2-11-4)14-9(10)15-7/h2-4H,1H3,(H2,10,11,12,14)