6-(3-ethyl-2-methyl-5-nitro-imidazol-4-yl)sulfanyl-7H-purin-2-amine

Systemtic Name: 6-(3-ethyl-2-methyl-5-nitro-imidazol-4-yl)sulfanyl-7H-purin-2-amine Openeye Name: 6-(3-ethyl-2-methyl-5-nitro-imidazol-4-yl)sulfanyl-7H-purin-2-amine CAS Name: 6-[(3-ethyl-2-methyl-5-nitro-4-imidazolyl)thio]-7H-purin-2-amine IUPAC Name: 6-(3-ethyl-2-methyl-5-nitroimidazol-4-yl)sulfanyl-7H-purin-2-amine Traditional Name: [6-[(3-ethyl-2-methyl-5-nitro-imidazol-4-yl)thio]-7H-purin-2-yl]amine Formula: C11H12N8O2S MolecularWeight: 320.33038

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NC(=C1SC2=NC(=NC3=C2NC=N3)N)[N+](=O)[O-])C

Isomeric SMILES

CCN1C(=NC(=C1SC2=NC(=NC3=C2NC=N3)N)[N+](=O)[O-])C

InChI

InChI=1S/C11H12N8O2S/c1-3-18-5(2)15-8(19(20)21)10(18)22-9-6-7(14-4-13-6)16-11(12)17-9/h4H,3H2,1-2H3,(H3,12,13,14,16,17)