1-(6-azido-5-oxidanyl-hexyl)-3,7-dimethyl-purine-2,6-dione

Systemtic Name: 1-(6-azido-5-oxidanyl-hexyl)-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-(6-azido-5-hydroxy-hexyl)-3,7-dimethyl-purine-2,6-dione CAS Name: 1-(6-azido-5-hydroxyhexyl)-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-(6-azido-5-hydroxyhexyl)-3,7-dimethylpurine-2,6-dione Traditional Name: 1-(6-azido-5-hydroxy-hexyl)-3,7-dimethyl-xanthine Formula: C13H19N7O3 MolecularWeight: 321.33506

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCC(CN=[N+]=[N-])O

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCC(CN=[N+]=[N-])O

InChI

InChI=1S/C13H19N7O3/c1-18-8-15-11-10(18)12(22)20(13(23)19(11)2)6-4-3-5-9(21)7-16-17-14/h8-9,21H,3-7H2,1-2H3