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

Systemtic Name: 4-azanyl-1-[(2S,3S,5R)-3-fluoranyl-5-(hydroxymethyl)thiolan-2-yl]pyrimidin-2-one Openeye Name: 4-amino-1-[(2S,3S,5R)-3-fluoro-5-(hydroxymethyl)tetrahydrothiophen-2-yl]pyrimidin-2-one CAS Name: 4-amino-1-[(2S,3S,5R)-3-fluoro-5-(hydroxymethyl)-2-thiolanyl]-2-pyrimidinone IUPAC Name: 4-amino-1-[(2S,3S,5R)-3-fluoro-5-(hydroxymethyl)thiolan-2-yl]pyrimidin-2-one Traditional Name: 4-amino-1-[(2S,3S,5R)-3-fluoro-5-methylol-tetrahydrothiophen-2-yl]pyrimidin-2-one Formula: C9H12FN3O2S MolecularWeight: 245.273883

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Descriptors Computed from Structure

Canonical SMILES:

C1C(SC(C1F)N2C=CC(=NC2=O)N)CO

Isomeric SMILES

C1[C@@H](S[C@@H]([C@H]1F)N2C=CC(=NC2=O)N)CO

InChI

InChI=1S/C9H12FN3O2S/c10-6-3-5(4-14)16-8(6)13-2-1-7(11)12-9(13)15/h1-2,5-6,8,14H,3-4H2,(H2,11,12,15)/t5-,6+,8+/m1/s1