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

Systemtic Name: 5-oxidanylidene-N-(pyridin-4-ylmethyl)-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide Openeye Name: 5-oxo-N-(4-pyridylmethyl)-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide CAS Name: 5-oxo-N-(pyridin-4-ylmethyl)-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide IUPAC Name: 5-oxo-N-(pyridin-4-ylmethyl)-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide Traditional Name: 5-keto-N-(4-pyridylmethyl)-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide Formula: C13H11N4O2S+ MolecularWeight: 287.31704

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=CC=C1CNC(=O)C2=CNC3=[N+](C2=O)C=CS3

Isomeric SMILES

C1=CN=CC=C1CNC(=O)C2=CNC3=[N+](C2=O)C=CS3

InChI

InChI=1S/C13H10N4O2S/c18-11(15-7-9-1-3-14-4-2-9)10-8-16-13-17(12(10)19)5-6-20-13/h1-6,8H,7H2,(H,15,18)/p+1