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

Systemtic Name: 5-[2-azanyl-9-(phenylmethyl)purin-6-yl]sulfanyl-1-methyl-N-oxidanyl-imidazol-4-amine oxide Openeye Name: 5-(2-amino-9-benzyl-purin-6-yl)sulfanyl-N-hydroxy-1-methyl-imidazol-4-amine oxide CAS Name: 5-[[2-amino-9-(phenylmethyl)-6-purinyl]thio]-N-hydroxy-1-methyl-4-imidazolamine oxide IUPAC Name: 5-(2-amino-9-benzylpurin-6-yl)sulfanyl-N-hydroxy-1-methylimidazol-4-amine oxide Traditional Name: 5-[(2-amino-9-benzyl-purin-6-yl)thio]-N-hydroxy-1-methyl-imidazol-4-amine oxide Formula: C16H16N8O2S MolecularWeight: 384.41564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N8O2S/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/h2-6,8-9,24-25H,7H2,1H3,(H2,17,20,21)