1-[5,5-bis(fluoranyl)hexyl]-3,7-dimethyl-purine-2,6-dione

Systemtic Name: 1-[5,5-bis(fluoranyl)hexyl]-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-(5,5-difluorohexyl)-3,7-dimethyl-purine-2,6-dione CAS Name: 1-(5,5-difluorohexyl)-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-(5,5-difluorohexyl)-3,7-dimethylpurine-2,6-dione Traditional Name: 1-(5,5-difluorohexyl)-3,7-dimethyl-xanthine Formula: C13H18F2N4O2 MolecularWeight: 300.304426

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)(F)F

Isomeric SMILES

CC(CCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)(F)F

InChI

InChI=1S/C13H18F2N4O2/c1-13(14,15)6-4-5-7-19-11(20)9-10(16-8-17(9)2)18(3)12(19)21/h8H,4-7H2,1-3H3