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

Systemtic Name: 2-ethyl-7-(hydroxymethyl)-8H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-5-one Openeye Name: 2-ethyl-7-(hydroxymethyl)-8H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-5-one CAS Name: 2-ethyl-7-(hydroxymethyl)-8H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-5-one IUPAC Name: 2-ethyl-7-(hydroxymethyl)-8H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-5-one Traditional Name: 2-ethyl-7-methylol-8H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-5-one Formula: C8H10N3O2S+ MolecularWeight: 212.2489

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=N[N+]2=C(S1)NC(=CC2=O)CO

Isomeric SMILES

CCC1=N[N+]2=C(S1)NC(=CC2=O)CO

InChI

InChI=1S/C8H9N3O2S/c1-2-6-10-11-7(13)3-5(4-12)9-8(11)14-6/h3,12H,2,4H2,1H3/p+1