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

Systemtic Name: N-[5-[2-azanyl-9-(phenylmethyl)purin-6-yl]sulfanyl-1-methyl-imidazol-4-yl]-N-oxidanidyl-hydroxylamine Openeye Name: N-[5-(2-amino-9-benzyl-purin-6-yl)sulfanyl-1-methyl-imidazol-4-yl]-N-oxido-hydroxylamine CAS Name: N-[5-[[2-amino-9-(phenylmethyl)-6-purinyl]thio]-1-methyl-4-imidazolyl]-N-oxidohydroxylamine IUPAC Name: N-[5-(2-amino-9-benzylpurin-6-yl)sulfanyl-1-methylimidazol-4-yl]-N-oxidohydroxylamine Traditional Name: N-[5-[(2-amino-9-benzyl-purin-6-yl)thio]-1-methyl-imidazol-4-yl]-N-oxido-hydroxylamine Formula: C16H15N8O2S- MolecularWeight: 383.4077

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC(=C1SC2=NC(=NC3=C2N=CN3CC4=CC=CC=C4)N)N(O)[O-]

Isomeric SMILES

CN1C=NC(=C1SC2=NC(=NC3=C2N=CN3CC4=CC=CC=C4)N)N(O)[O-]

InChI

InChI=1S/C16H15N8O2S/c1-22-8-19-13(24(25)26)15(22)27-14-11-12(20-16(17)21-14)23(9-18-11)7-10-5-3-2-4-6-10/h2-6,8-9,25H,7H2,1H3,(H2,17,20,21)/q-1