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

Systemtic Name: 2-azanyl-1-[2,7-bis(fluoranyl)heptyl]-7H-purin-6-one Openeye Name: 2-amino-1-(2,7-difluoroheptyl)-7H-purin-6-one CAS Name: 2-amino-1-(2,7-difluoroheptyl)-7H-purin-6-one IUPAC Name: 2-amino-1-(2,7-difluoroheptyl)-7H-purin-6-one Traditional Name: 2-amino-1-(2,7-difluoroheptyl)-7H-purin-6-one Formula: C12H17F2N5O MolecularWeight: 285.293086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17F2N5O/c13-5-3-1-2-4-8(14)6-19-11(20)9-10(17-7-16-9)18-12(19)15/h7-8H,1-6H2,(H2,15,18)(H,16,17)