5-[2-azanyl-9-(2-methylpropyl)purin-6-yl]sulfanyl-1-methyl-N-oxidanyl-imidazol-4-amine oxide

Systemtic Name: 5-[2-azanyl-9-(2-methylpropyl)purin-6-yl]sulfanyl-1-methyl-N-oxidanyl-imidazol-4-amine oxide Openeye Name: 5-(2-amino-9-isobutyl-purin-6-yl)sulfanyl-N-hydroxy-1-methyl-imidazol-4-amine oxide CAS Name: 5-[[2-amino-9-(2-methylpropyl)-6-purinyl]thio]-N-hydroxy-1-methyl-4-imidazolamine oxide IUPAC Name: 5-[2-amino-9-(2-methylpropyl)purin-6-yl]sulfanyl-N-hydroxy-1-methylimidazol-4-amine oxide Traditional Name: 5-[(2-amino-9-isobutyl-purin-6-yl)thio]-N-hydroxy-1-methyl-imidazol-4-amine oxide Formula: C13H18N8O2S MolecularWeight: 350.39942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N8O2S/c1-7(2)4-20-6-15-8-9(20)17-13(14)18-11(8)24-12-10(21(22)23)16-5-19(12)3/h5-7,21-22H,4H2,1-3H3,(H2,14,17,18)