4-azanyl-5-fluoranyl-1-[(2R,3S,4R)-3-fluoranyl-4-(hydroxymethyl)thietan-2-yl]pyrimidin-2-one

Systemtic Name: 4-azanyl-5-fluoranyl-1-[(2R,3S,4R)-3-fluoranyl-4-(hydroxymethyl)thietan-2-yl]pyrimidin-2-one Openeye Name: 4-amino-5-fluoro-1-[(2R,3S,4R)-3-fluoro-4-(hydroxymethyl)thietan-2-yl]pyrimidin-2-one CAS Name: 4-amino-5-fluoro-1-[(2R,3S,4R)-3-fluoro-4-(hydroxymethyl)-2-thietanyl]-2-pyrimidinone IUPAC Name: 4-amino-5-fluoro-1-[(2R,3S,4R)-3-fluoro-4-(hydroxymethyl)thietan-2-yl]pyrimidin-2-one Traditional Name: 4-amino-5-fluoro-1-[(2R,3S,4R)-3-fluoro-4-methylol-thietan-2-yl]pyrimidin-2-one Formula: C8H9F2N3O2S MolecularWeight: 249.237766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=NC(=O)N1C2C(C(S2)CO)F)N)F

Isomeric SMILES

C1=C(C(=NC(=O)N1[C@H]2[C@H]([C@H](S2)CO)F)N)F

InChI

InChI=1S/C8H9F2N3O2S/c9-3-1-13(8(15)12-6(3)11)7-5(10)4(2-14)16-7/h1,4-5,7,14H,2H2,(H2,11,12,15)/t4-,5+,7-/m1/s1