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

Systemtic Name: 5-oxidanylidene-N-(3-propan-2-yloxypropyl)-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide Openeye Name: N-(3-isopropoxypropyl)-5-oxo-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide CAS Name: 5-oxo-N-(3-propan-2-yloxypropyl)-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide IUPAC Name: 5-oxo-N-(3-propan-2-yloxypropyl)-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide Traditional Name: N-(3-isopropoxypropyl)-5-keto-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide Formula: C13H18N3O3S+ MolecularWeight: 296.36532

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCCNC(=O)C1=CNC2=[N+](C1=O)C=CS2

Isomeric SMILES

CC(C)OCCCNC(=O)C1=CNC2=[N+](C1=O)C=CS2

InChI

InChI=1S/C13H17N3O3S/c1-9(2)19-6-3-4-14-11(17)10-8-15-13-16(12(10)18)5-7-20-13/h5,7-9H,3-4,6H2,1-2H3,(H,14,17)/p+1