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

Systemtic Name: 3,7-dimethyl-5-oxidanylidene-N-(pyridin-3-ylmethyl)-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-6-sulfonamide Openeye Name: 3,7-dimethyl-5-oxo-N-(3-pyridylmethyl)-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-sulfonamide CAS Name: 3,7-dimethyl-5-oxo-N-(3-pyridinylmethyl)-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-sulfonamide IUPAC Name: 3,7-dimethyl-5-oxo-N-(pyridin-3-ylmethyl)-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-6-sulfonamide Traditional Name: 5-keto-3,7-dimethyl-N-(3-pyridylmethyl)-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-sulfonamide Formula: C14H15N4O3S2+ MolecularWeight: 351.4239

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC2=[N+]1C(=O)C(=C(N2)C)S(=O)(=O)NCC3=CN=CC=C3

Isomeric SMILES

CC1=CSC2=[N+]1C(=O)C(=C(N2)C)S(=O)(=O)NCC3=CN=CC=C3

InChI

InChI=1S/C14H14N4O3S2/c1-9-8-22-14-17-10(2)12(13(19)18(9)14)23(20,21)16-7-11-4-3-5-15-6-11/h3-6,8,16H,7H2,1-2H3/p+1