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

Systemtic Name: 6-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-9-propyl-purin-2-amine Openeye Name: 6-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-9-propyl-purin-2-amine CAS Name: 6-[(3-methyl-5-nitro-4-imidazolyl)thio]-9-propyl-2-purinamine IUPAC Name: 6-(3-methyl-5-nitroimidazol-4-yl)sulfanyl-9-propylpurin-2-amine Traditional Name: [6-[(3-methyl-5-nitro-imidazol-4-yl)thio]-9-propyl-purin-2-yl]amine Formula: C12H14N8O2S MolecularWeight: 334.35696

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=NC2=C1N=C(N=C2SC3=C(N=CN3C)[N+](=O)[O-])N

Isomeric SMILES

CCCN1C=NC2=C1N=C(N=C2SC3=C(N=CN3C)[N+](=O)[O-])N

InChI

InChI=1S/C12H14N8O2S/c1-3-4-19-6-14-7-8(19)16-12(13)17-10(7)23-11-9(20(21)22)15-5-18(11)2/h5-6H,3-4H2,1-2H3,(H2,13,16,17)