1-(5-azidohexyl)-3,7-dimethyl-purine-2,6-dione

Systemtic Name: 1-(5-azidohexyl)-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-(5-azidohexyl)-3,7-dimethyl-purine-2,6-dione CAS Name: 1-(5-azidohexyl)-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-(5-azidohexyl)-3,7-dimethylpurine-2,6-dione Traditional Name: 1-(5-azidohexyl)-3,7-dimethyl-xanthine Formula: C13H19N7O2 MolecularWeight: 305.33566

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)N=[N+]=[N-]

Isomeric SMILES

CC(CCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)N=[N+]=[N-]

InChI

InChI=1S/C13H19N7O2/c1-9(16-17-14)6-4-5-7-20-12(21)10-11(15-8-18(10)2)19(3)13(20)22/h8-9H,4-7H2,1-3H3