8-imidazol-2-ylidene-2-methyl-6-nitro-9-sulfanyl-7H-purine

Systemtic Name: 8-imidazol-2-ylidene-2-methyl-6-nitro-9-sulfanyl-7H-purine Openeye Name: 8-imidazol-2-ylidene-2-methyl-6-nitro-9-sulfanyl-7H-purine CAS Name: 8-(2-imidazolylidene)-9-mercapto-2-methyl-6-nitro-7H-purine IUPAC Name: 8-imidazol-2-ylidene-2-methyl-6-nitro-9-sulfanyl-7H-purine Traditional Name: 8-imidazol-2-ylidene-9-mercapto-2-methyl-6-nitro-7H-purine Formula: C9H7N7O2S MolecularWeight: 277.26258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=N1)[N+](=O)[O-])NC(=C3N=CC=N3)N2S

Isomeric SMILES

CC1=NC2=C(C(=N1)[N+](=O)[O-])NC(=C3N=CC=N3)N2S

InChI

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