9-(6-azido-6-oxidanylidene-hexyl)-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 9-(6-azido-6-oxidanylidene-hexyl)-1,3-dimethyl-purine-2,6-dione Openeye Name: 6-(1,3-dimethyl-2,6-dioxo-purin-9-yl)hexanoyl azide CAS Name: 9-(6-azido-6-oxohexyl)-1,3-dimethylpurine-2,6-dione IUPAC Name: 6-(1,3-dimethyl-2,6-dioxopurin-9-yl)hexanoyl azide Traditional Name: 9-(6-azido-6-keto-hexyl)-1,3-dimethyl-xanthine Formula: C13H17N7O3 MolecularWeight: 319.31918

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N=CN2CCCCCC(=O)N=[N+]=[N-]

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N=CN2CCCCCC(=O)N=[N+]=[N-]

InChI

InChI=1S/C13H17N7O3/c1-18-11-10(12(22)19(2)13(18)23)15-8-20(11)7-5-3-4-6-9(21)16-17-14/h8H,3-7H2,1-2H3