6-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-9-(2-methylpropyl)purin-2-amine

Systemtic Name: 6-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-9-(2-methylpropyl)purin-2-amine Openeye Name: 9-isobutyl-6-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-purin-2-amine CAS Name: 6-[(3-methyl-5-nitro-4-imidazolyl)thio]-9-(2-methylpropyl)-2-purinamine IUPAC Name: 6-(3-methyl-5-nitroimidazol-4-yl)sulfanyl-9-(2-methylpropyl)purin-2-amine Traditional Name: [9-isobutyl-6-[(3-methyl-5-nitro-imidazol-4-yl)thio]purin-2-yl]amine Formula: C13H16N8O2S MolecularWeight: 348.38354

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C=NC2=C1N=C(N=C2SC3=C(N=CN3C)[N+](=O)[O-])N

Isomeric SMILES

CC(C)CN1C=NC2=C1N=C(N=C2SC3=C(N=CN3C)[N+](=O)[O-])N

InChI

InChI=1S/C13H16N8O2S/c1-7(2)4-20-6-15-8-9(20)17-13(14)18-11(8)24-12-10(21(22)23)16-5-19(12)3/h5-7H,4H2,1-3H3,(H2,14,17,18)