2-azanyl-9-[(2R,3S,4R)-3-fluoranyl-4-(hydroxymethyl)thietan-2-yl]-3H-purin-6-one

Systemtic Name: 2-azanyl-9-[(2R,3S,4R)-3-fluoranyl-4-(hydroxymethyl)thietan-2-yl]-3H-purin-6-one Openeye Name: 2-amino-9-[(2R,3S,4R)-3-fluoro-4-(hydroxymethyl)thietan-2-yl]-3H-purin-6-one CAS Name: 2-amino-9-[(2R,3S,4R)-3-fluoro-4-(hydroxymethyl)-2-thietanyl]-3H-purin-6-one IUPAC Name: 2-amino-9-[(2R,3S,4R)-3-fluoro-4-(hydroxymethyl)thietan-2-yl]-3H-purin-6-one Traditional Name: 2-amino-9-[(2R,3S,4R)-3-fluoro-4-methylol-thietan-2-yl]-3H-purin-6-one Formula: C9H10FN5O2S MolecularWeight: 271.271403

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1C3C(C(S3)CO)F)NC(=NC2=O)N

Isomeric SMILES

C1=NC2=C(N1[C@H]3[C@H]([C@H](S3)CO)F)NC(=NC2=O)N

InChI

InChI=1S/C9H10FN5O2S/c10-4-3(1-16)18-8(4)15-2-12-5-6(15)13-9(11)14-7(5)17/h2-4,8,16H,1H2,(H3,11,13,14,17)/t3-,4+,8-/m1/s1