2-azanyl-1-[2,8-bis(fluoranyl)octyl]-7H-purin-6-one

Systemtic Name: 2-azanyl-1-[2,8-bis(fluoranyl)octyl]-7H-purin-6-one Openeye Name: 2-amino-1-(2,8-difluorooctyl)-7H-purin-6-one CAS Name: 2-amino-1-(2,8-difluorooctyl)-7H-purin-6-one IUPAC Name: 2-amino-1-(2,8-difluorooctyl)-7H-purin-6-one Traditional Name: 2-amino-1-(2,8-difluorooctyl)-7H-purin-6-one Formula: C13H19F2N5O MolecularWeight: 299.319666

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1)C(=O)N(C(=N2)N)CC(CCCCCCF)F

Isomeric SMILES

C1=NC2=C(N1)C(=O)N(C(=N2)N)CC(CCCCCCF)F

InChI

InChI=1S/C13H19F2N5O/c14-6-4-2-1-3-5-9(15)7-20-12(21)10-11(18-8-17-10)19-13(20)16/h8-9H,1-7H2,(H2,16,19)(H,17,18)