6-azanyl-3-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-1H-pyrimidin-3-ium-2-one

Systemtic Name: 6-azanyl-3-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-1H-pyrimidin-3-ium-2-one Openeye Name: 6-amino-3-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-1H-pyrimidin-3-ium-2-one CAS Name: 6-amino-3-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-1H-pyrimidin-3-ium-2-one IUPAC Name: 6-amino-3-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-1H-pyrimidin-3-ium-2-one Traditional Name: 6-amino-3-[(2R,5S)-2-methylol-1,3-oxathiolan-5-yl]-1H-pyrimidin-3-ium-2-one Formula: C8H12N3O3S+ MolecularWeight: 230.26418

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC(S1)CO)[N+]2=CC=C(NC2=O)N

Isomeric SMILES

C1[C@H](O[C@H](S1)CO)[N+]2=CC=C(NC2=O)N

InChI

InChI=1S/C8H11N3O3S/c9-5-1-2-11(8(13)10-5)6-4-15-7(3-12)14-6/h1-2,6-7,12H,3-4H2,(H2,9,10,13)/p+1/t6-,7+/m0/s1