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

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

Systemtic Name:9-(2-methylbutyl)-6-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-purin-2-amine
Openeye Name:9-(2-methylbutyl)-6-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-purin-2-amine
CAS Name:9-(2-methylbutyl)-6-[(3-methyl-5-nitro-4-imidazolyl)thio]-2-purinamine
IUPAC Name:9-(2-methylbutyl)-6-(3-methyl-5-nitroimidazol-4-yl)sulfanylpurin-2-amine
Traditional Name:[9-(2-methylbutyl)-6-[(3-methyl-5-nitro-imidazol-4-yl)thio]purin-2-yl]amine
Formula: C14H18N8O2S
MolecularWeight: 362.41012
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C14H18N8O2S/c1-4-8(2)5-21-7-16-9-10(21)18-14(15)19-12(9)25-13-11(22(23)24)17-6-20(13)3/h6-8H,4-5H2,1-3H3,(H2,15,18,19)


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