4-[3-[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]propyl]-N-oxidanyl-benzeneamine oxide

Systemtic Name: 4-[3-[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]propyl]-N-oxidanyl-benzeneamine oxide Openeye Name: 4-[3-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)propyl]-N-hydroxy-benzeneamine oxide CAS Name: 4-[3-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)propyl]-N-hydroxybenzeneamine oxide IUPAC Name: 4-[3-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)propyl]-N-hydroxybenzeneamine oxide Traditional Name: 4-[3-(2,6-diketo-1,3-dimethyl-7H-purin-8-yl)propyl]-N-hydroxy-benzeneamine oxide Formula: C16H19N5O4 MolecularWeight: 345.35316

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)CCCC3=CC=C(C=C3)[NH+](O)[O-]

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)CCCC3=CC=C(C=C3)[NH+](O)[O-]

InChI

InChI=1S/C16H19N5O4/c1-19-14-13(15(22)20(2)16(19)23)17-12(18-14)5-3-4-10-6-8-11(9-7-10)21(24)25/h6-9,21,24H,3-5H2,1-2H3,(H,17,18)