2-azanyl-9-[3-azanyl-2,2-bis(fluoranyl)-4,5-bis(oxidanyl)pentanoyl]-3H-purin-6-one

Systemtic Name: 2-azanyl-9-[3-azanyl-2,2-bis(fluoranyl)-4,5-bis(oxidanyl)pentanoyl]-3H-purin-6-one Openeye Name: 2-amino-9-(3-amino-2,2-difluoro-4,5-dihydroxy-pentanoyl)-3H-purin-6-one CAS Name: 2-amino-9-(3-amino-2,2-difluoro-4,5-dihydroxy-1-oxopentyl)-3H-purin-6-one IUPAC Name: 2-amino-9-(3-amino-2,2-difluoro-4,5-dihydroxypentanoyl)-3H-purin-6-one Traditional Name: 2-amino-9-(3-amino-2,2-difluoro-4,5-dihydroxy-pentanoyl)-3H-purin-6-one Formula: C10H12F2N6O4 MolecularWeight: 318.236886

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1C(=O)C(C(C(CO)O)N)(F)F)NC(=NC2=O)N

Isomeric SMILES

C1=NC2=C(N1C(=O)C(C(C(CO)O)N)(F)F)NC(=NC2=O)N

InChI

InChI=1S/C10H12F2N6O4/c11-10(12,5(13)3(20)1-19)8(22)18-2-15-4-6(18)16-9(14)17-7(4)21/h2-3,5,19-20H,1,13H2,(H3,14,16,17,21)