2-azanyl-9-[2,2-bis(fluoranyl)-4-oxidanyl-butyl]-7,8-dihydro-3H-purin-6-one

Systemtic Name: 2-azanyl-9-[2,2-bis(fluoranyl)-4-oxidanyl-butyl]-7,8-dihydro-3H-purin-6-one Openeye Name: 2-amino-9-(2,2-difluoro-4-hydroxy-butyl)-7,8-dihydro-3H-purin-6-one CAS Name: 2-amino-9-(2,2-difluoro-4-hydroxybutyl)-7,8-dihydro-3H-purin-6-one IUPAC Name: 2-amino-9-(2,2-difluoro-4-hydroxybutyl)-7,8-dihydro-3H-purin-6-one Traditional Name: 2-amino-9-(2,2-difluoro-4-hydroxy-butyl)-7,8-dihydro-3H-purin-6-one Formula: C9H13F2N5O2 MolecularWeight: 261.228626

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Descriptors Computed from Structure

Canonical SMILES:

C1NC2=C(N1CC(CCO)(F)F)NC(=NC2=O)N

Isomeric SMILES

C1NC2=C(N1CC(CCO)(F)F)NC(=NC2=O)N

InChI

InChI=1S/C9H13F2N5O2/c10-9(11,1-2-17)3-16-4-13-5-6(16)14-8(12)15-7(5)18/h13,17H,1-4H2,(H3,12,14,15,18)