N-oxidanyl-2-[(6-oxidanylidene-3,7-dihydropurin-2-yl)sulfanylmethyl]benzeneamine oxide

Systemtic Name: N-oxidanyl-2-[(6-oxidanylidene-3,7-dihydropurin-2-yl)sulfanylmethyl]benzeneamine oxide Openeye Name: N-hydroxy-2-[(6-oxo-3,7-dihydropurin-2-yl)sulfanylmethyl]benzeneamine oxide CAS Name: N-hydroxy-2-[[(6-oxo-3,7-dihydropurin-2-yl)thio]methyl]benzeneamine oxide IUPAC Name: N-hydroxy-2-[(6-oxo-3,7-dihydropurin-2-yl)sulfanylmethyl]benzeneamine oxide Traditional Name: N-hydroxy-2-[[(6-keto-3,7-dihydropurin-2-yl)thio]methyl]benzeneamine oxide Formula: C12H11N5O3S MolecularWeight: 305.31244

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CSC2=NC(=O)C3=C(N2)N=CN3)[NH+](O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)CSC2=NC(=O)C3=C(N2)N=CN3)[NH+](O)[O-]

InChI

InChI=1S/C12H11N5O3S/c18-11-9-10(14-6-13-9)15-12(16-11)21-5-7-3-1-2-4-8(7)17(19)20/h1-4,6,17,19H,5H2,(H2,13,14,15,16,18)