2-(2-morpholin-4-ium-4-ylethylsulfanyl)-5-oxidanyl-4H-[1,3]thiazolo[4,5-b]pyridin-7-one

Systemtic Name: 2-(2-morpholin-4-ium-4-ylethylsulfanyl)-5-oxidanyl-4H-[1,3]thiazolo[4,5-b]pyridin-7-one Openeye Name: 5-hydroxy-2-(2-morpholin-4-ium-4-ylethylsulfanyl)-4H-thiazolo[4,5-b]pyridin-7-one CAS Name: 5-hydroxy-2-[2-(4-morpholin-4-iumyl)ethylthio]-4H-thiazolo[4,5-b]pyridin-7-one IUPAC Name: 5-hydroxy-2-(2-morpholin-4-ium-4-ylethylsulfanyl)-4H-[1,3]thiazolo[4,5-b]pyridin-7-one Traditional Name: 5-hydroxy-2-(2-morpholin-4-ium-4-ylethylthio)-4H-thiazolo[4,5-b]pyridin-7-one Formula: C12H16N3O3S2+ MolecularWeight: 314.40374

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCSC2=NC3=C(S2)C(=O)C=C(N3)O

Isomeric SMILES

C1COCC[NH+]1CCSC2=NC3=C(S2)C(=O)C=C(N3)O

InChI

InChI=1S/C12H15N3O3S2/c16-8-7-9(17)13-11-10(8)20-12(14-11)19-6-3-15-1-4-18-5-2-15/h7H,1-6H2,(H2,13,16,17)/p+1