4-[[2-azanyl-7-(naphthalen-2-ylmethyl)-6-oxidanylidene-purin-3-yl]methyl]-N-oxidanyl-benzeneamine oxide

Systemtic Name: 4-[[2-azanyl-7-(naphthalen-2-ylmethyl)-6-oxidanylidene-purin-3-yl]methyl]-N-oxidanyl-benzeneamine oxide Openeye Name: 4-[[2-amino-7-(2-naphthylmethyl)-6-oxo-purin-3-yl]methyl]-N-hydroxy-benzeneamine oxide CAS Name: 4-[[2-amino-7-(2-naphthalenylmethyl)-6-oxo-3-purinyl]methyl]-N-hydroxybenzeneamine oxide IUPAC Name: 4-[[2-amino-7-(naphthalen-2-ylmethyl)-6-oxopurin-3-yl]methyl]-N-hydroxybenzeneamine oxide Traditional Name: 4-[[2-amino-6-keto-7-(2-naphthylmethyl)purin-3-yl]methyl]-N-hydroxy-benzeneamine oxide Formula: C23H20N6O3 MolecularWeight: 428.4433

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)CN3C=NC4=C3C(=O)N=C(N4CC5=CC=C(C=C5)[NH+](O)[O-])N

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)CN3C=NC4=C3C(=O)N=C(N4CC5=CC=C(C=C5)[NH+](O)[O-])N

InChI

InChI=1S/C23H20N6O3/c24-23-26-22(30)20-21(28(23)13-15-6-9-19(10-7-15)29(31)32)25-14-27(20)12-16-5-8-17-3-1-2-4-18(17)11-16/h1-11,14,29,31H,12-13H2,(H2,24,26,30)