1-[4-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]butyl]-N-oxidanyl-imidazol-2-amine oxide

Systemtic Name: 1-[4-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]butyl]-N-oxidanyl-imidazol-2-amine oxide Openeye Name: 1-[4-(1,3-dimethyl-2,6-dioxo-purin-7-yl)butyl]-N-hydroxy-imidazol-2-amine oxide CAS Name: 1-[4-(1,3-dimethyl-2,6-dioxo-7-purinyl)butyl]-N-hydroxy-2-imidazolamine oxide IUPAC Name: 1-[4-(1,3-dimethyl-2,6-dioxopurin-7-yl)butyl]-N-hydroxyimidazol-2-amine oxide Traditional Name: 1-[4-(2,6-diketo-1,3-dimethyl-purin-7-yl)butyl]-N-hydroxy-imidazol-2-amine oxide Formula: C14H19N7O4 MolecularWeight: 349.34516

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCCN3C=CN=C3[NH+](O)[O-]

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCCN3C=CN=C3[NH+](O)[O-]

InChI

InChI=1S/C14H19N7O4/c1-17-11-10(12(22)18(2)14(17)23)20(9-16-11)7-4-3-6-19-8-5-15-13(19)21(24)25/h5,8-9,21,24H,3-4,6-7H2,1-2H3