1-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-7,8-dihydro-6H-purino[7,8-a]pyrrole

Systemtic Name: 1-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-7,8-dihydro-6H-purino[7,8-a]pyrrole Openeye Name: 1-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-7,8-dihydro-6H-purino[7,8-a]pyrrole CAS Name: 1-[(3-methyl-5-nitro-4-imidazolyl)thio]-7,8-dihydro-6H-purino[7,8-a]pyrrole IUPAC Name: 1-(3-methyl-5-nitroimidazol-4-yl)sulfanyl-7,8-dihydro-6H-purino[7,8-a]pyrrole Traditional Name: 1-[(3-methyl-5-nitro-imidazol-4-yl)thio]-7,8-dihydro-6H-purino[7,8-a]pyrrole Formula: C12H11N7O2S MolecularWeight: 317.32644

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC(=C1SC2=NC=NC3=C2N4CCCC4=N3)[N+](=O)[O-]

Isomeric SMILES

CN1C=NC(=C1SC2=NC=NC3=C2N4CCCC4=N3)[N+](=O)[O-]

InChI

InChI=1S/C12H11N7O2S/c1-17-6-15-10(19(20)21)12(17)22-11-8-9(13-5-14-11)16-7-3-2-4-18(7)8/h5-6H,2-4H2,1H3