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

Systemtic Name: 9-ethyl-6-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-purin-2-amine Openeye Name: 9-ethyl-6-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-purin-2-amine CAS Name: 9-ethyl-6-[(3-methyl-5-nitro-4-imidazolyl)thio]-2-purinamine IUPAC Name: 9-ethyl-6-(3-methyl-5-nitroimidazol-4-yl)sulfanylpurin-2-amine Traditional Name: [9-ethyl-6-[(3-methyl-5-nitro-imidazol-4-yl)thio]purin-2-yl]amine Formula: C11H12N8O2S MolecularWeight: 320.33038

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1N=C(N=C2SC3=C(N=CN3C)[N+](=O)[O-])N

Isomeric SMILES

CCN1C=NC2=C1N=C(N=C2SC3=C(N=CN3C)[N+](=O)[O-])N

InChI

InChI=1S/C11H12N8O2S/c1-3-18-5-13-6-7(18)15-11(12)16-9(6)22-10-8(19(20)21)14-4-17(10)2/h4-5H,3H2,1-2H3,(H2,12,15,16)