7-methyl-5-oxidanylidene-N-(pyridin-2-ylmethyl)-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-6-sulfonamide

Systemtic Name: 7-methyl-5-oxidanylidene-N-(pyridin-2-ylmethyl)-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-6-sulfonamide Openeye Name: 7-methyl-5-oxo-N-(2-pyridylmethyl)-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-sulfonamide CAS Name: 7-methyl-5-oxo-N-(2-pyridinylmethyl)-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-sulfonamide IUPAC Name: 7-methyl-5-oxo-N-(pyridin-2-ylmethyl)-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-6-sulfonamide Traditional Name: 5-keto-7-methyl-N-(2-pyridylmethyl)-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-sulfonamide Formula: C13H13N4O3S2+ MolecularWeight: 337.39732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)[N+]2=C(N1)SC=C2)S(=O)(=O)NCC3=CC=CC=N3

Isomeric SMILES

CC1=C(C(=O)[N+]2=C(N1)SC=C2)S(=O)(=O)NCC3=CC=CC=N3

InChI

InChI=1S/C13H12N4O3S2/c1-9-11(12(18)17-6-7-21-13(17)16-9)22(19,20)15-8-10-4-2-3-5-14-10/h2-7,15H,8H2,1H3/p+1