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

Systemtic Name: 6-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-7H-purine Openeye Name: 6-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-7H-purine CAS Name: 6-[(3-methyl-5-nitro-4-imidazolyl)thio]-7H-purine IUPAC Name: 6-(3-methyl-5-nitroimidazol-4-yl)sulfanyl-7H-purine Traditional Name: 6-[(3-methyl-5-nitro-imidazol-4-yl)thio]-7H-purine Formula: C18H14N14O4S2 MolecularWeight: 554.52516

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C9H7N7O2S/c2*1-15-4-14-7(16(17)18)9(15)19-8-5-6(11-2-10-5)12-3-13-8/h2*2-4H,1H3,(H,10,11,12,13)