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

Systemtic Name: 6-(2,3-dimethyl-5-nitro-imidazol-4-yl)sulfanyl-7H-purine Openeye Name: 6-(2,3-dimethyl-5-nitro-imidazol-4-yl)sulfanyl-7H-purine CAS Name: 6-[(2,3-dimethyl-5-nitro-4-imidazolyl)thio]-7H-purine IUPAC Name: 6-(2,3-dimethyl-5-nitroimidazol-4-yl)sulfanyl-7H-purine Traditional Name: 6-[(2,3-dimethyl-5-nitro-imidazol-4-yl)thio]-7H-purine Formula: C10H9N7O2S MolecularWeight: 291.28916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(N1C)SC2=NC=NC3=C2NC=N3)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=C(N1C)SC2=NC=NC3=C2NC=N3)[N+](=O)[O-]

InChI

InChI=1S/C10H9N7O2S/c1-5-15-8(17(18)19)10(16(5)2)20-9-6-7(12-3-11-6)13-4-14-9/h3-4H,1-2H3,(H,11,12,13,14)