2-azanyl-9-[(1S,3S)-2-fluoranyl-3,4-bis(hydroxymethyl)cyclobutyl]-3H-purin-6-one

Systemtic Name: 2-azanyl-9-[(1S,3S)-2-fluoranyl-3,4-bis(hydroxymethyl)cyclobutyl]-3H-purin-6-one Openeye Name: 2-amino-9-[(1S,3S)-2-fluoro-3,4-bis(hydroxymethyl)cyclobutyl]-3H-purin-6-one CAS Name: 2-amino-9-[(1S,3S)-2-fluoro-3,4-bis(hydroxymethyl)cyclobutyl]-3H-purin-6-one IUPAC Name: 2-amino-9-[(1S,3S)-2-fluoro-3,4-bis(hydroxymethyl)cyclobutyl]-3H-purin-6-one Traditional Name: 2-amino-9-[(1S,3S)-2-fluoro-3,4-dimethylol-cyclobutyl]-3H-purin-6-one Formula: C11H14FN5O3 MolecularWeight: 283.258963

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1C3C(C(C3F)CO)CO)NC(=NC2=O)N

Isomeric SMILES

C1=NC2=C(N1[C@H]3C([C@H](C3F)CO)CO)NC(=NC2=O)N

InChI

InChI=1S/C11H14FN5O3/c12-6-4(1-18)5(2-19)8(6)17-3-14-7-9(17)15-11(13)16-10(7)20/h3-6,8,18-19H,1-2H2,(H3,13,15,16,20)/t4-,5?,6?,8+/m1/s1