7-(hydroxymethyl)-8H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-5-one

Systemtic Name: 7-(hydroxymethyl)-8H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-5-one Openeye Name: 7-(hydroxymethyl)-8H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-5-one CAS Name: 7-(hydroxymethyl)-8H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-5-one IUPAC Name: 7-(hydroxymethyl)-8H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-5-one Traditional Name: 7-methylol-8H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-5-one Formula: C6H6N3O2S+ MolecularWeight: 184.19574

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(NC2=[N+](C1=O)N=CS2)CO

Isomeric SMILES

C1=C(NC2=[N+](C1=O)N=CS2)CO

InChI

InChI=1S/C6H5N3O2S/c10-2-4-1-5(11)9-6(8-4)12-3-7-9/h1,3,10H,2H2/p+1