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

Systemtic Name: 6-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-7H-purin-2-amine Openeye Name: 6-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-7H-purin-2-amine CAS Name: 6-[(3-methyl-5-nitro-4-imidazolyl)thio]-7H-purin-2-amine IUPAC Name: 6-(3-methyl-5-nitroimidazol-4-yl)sulfanyl-7H-purin-2-amine Traditional Name: [6-[(3-methyl-5-nitro-imidazol-4-yl)thio]-7H-purin-2-yl]amine Formula: C18H16N16O4S2 MolecularWeight: 584.55444

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC(=C1SC2=NC(=NC3=C2NC=N3)N)[N+](=O)[O-].CN1C=NC(=C1SC2=NC(=NC3=C2NC=N3)N)[N+](=O)[O-]

Isomeric SMILES

CN1C=NC(=C1SC2=NC(=NC3=C2NC=N3)N)[N+](=O)[O-].CN1C=NC(=C1SC2=NC(=NC3=C2NC=N3)N)[N+](=O)[O-]

InChI

InChI=1S/2C9H8N8O2S/c2*1-16-3-13-6(17(18)19)8(16)20-7-4-5(12-2-11-4)14-9(10)15-7/h2*2-3H,1H3,(H3,10,11,12,14,15)