5,7-dimethyl-[1,2]thiazolo[2,3-a]pyrimidin-8-ium-2-sulfonic acid

Systemtic Name: 5,7-dimethyl-[1,2]thiazolo[2,3-a]pyrimidin-8-ium-2-sulfonic acid Openeye Name: 5,7-dimethylisothiazolo[2,3-a]pyrimidin-8-ium-2-sulfonic acid CAS Name: 5,7-dimethyl-2-isothiazolo[2,3-a]pyrimidin-8-iumsulfonic acid IUPAC Name: 5,7-dimethyl-[1,2]thiazolo[2,3-a]pyrimidin-8-ium-2-sulfonic acid Traditional Name: 5,7-dimethylisothiazolo[2,3-a]pyrimidin-8-ium-2-sulfonic acid Formula: C8H9N2O3S2+ MolecularWeight: 245.29866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[N+]2C(=N1)C=C(S2)S(=O)(=O)O)C

Isomeric SMILES

CC1=CC(=[N+]2C(=N1)C=C(S2)S(=O)(=O)O)C

InChI

InChI=1S/C8H8N2O3S2/c1-5-3-6(2)10-7(9-5)4-8(14-10)15(11,12)13/h3-4H,1-2H3/p+1