8-butyl-6-methyl-7-oxidanyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-8-ium-5-one

Systemtic Name: 8-butyl-6-methyl-7-oxidanyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-8-ium-5-one Openeye Name: 8-butyl-7-hydroxy-6-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-8-ium-5-one CAS Name: 8-butyl-7-hydroxy-6-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-8-ium-5-one IUPAC Name: 8-butyl-7-hydroxy-6-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-8-ium-5-one Traditional Name: 8-butyl-7-hydroxy-6-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-8-ium-5-one Formula: C10H14N3O2S+ MolecularWeight: 240.30206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1=C2N(C(=O)C(=C1O)C)N=CS2

Isomeric SMILES

CCCC[N+]1=C2N(C(=O)C(=C1O)C)N=CS2

InChI

InChI=1S/C10H13N3O2S/c1-3-4-5-12-8(14)7(2)9(15)13-10(12)16-6-11-13/h6H,3-5H2,1-2H3/p+1