N-[5-[2-azanyl-9-(2-methylpropyl)purin-6-yl]sulfanyl-1-methyl-imidazol-4-yl]-N-oxidanidyl-hydroxylamine

Systemtic Name: N-[5-[2-azanyl-9-(2-methylpropyl)purin-6-yl]sulfanyl-1-methyl-imidazol-4-yl]-N-oxidanidyl-hydroxylamine Openeye Name: N-[5-(2-amino-9-isobutyl-purin-6-yl)sulfanyl-1-methyl-imidazol-4-yl]-N-oxido-hydroxylamine CAS Name: N-[5-[[2-amino-9-(2-methylpropyl)-6-purinyl]thio]-1-methyl-4-imidazolyl]-N-oxidohydroxylamine IUPAC Name: N-[5-[2-amino-9-(2-methylpropyl)purin-6-yl]sulfanyl-1-methylimidazol-4-yl]-N-oxidohydroxylamine Traditional Name: N-[5-[(2-amino-9-isobutyl-purin-6-yl)thio]-1-methyl-imidazol-4-yl]-N-oxido-hydroxylamine Formula: C13H17N8O2S- MolecularWeight: 349.39148

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N8O2S/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/h5-7,22H,4H2,1-3H3,(H2,14,17,18)/q-1