3-methyl-5-oxidanylidene-N-pentyl-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide

Systemtic Name: 3-methyl-5-oxidanylidene-N-pentyl-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide Openeye Name: 3-methyl-5-oxo-N-pentyl-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide CAS Name: 3-methyl-5-oxo-N-pentyl-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide IUPAC Name: 3-methyl-5-oxo-N-pentyl-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide Traditional Name: N-amyl-5-keto-3-methyl-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide Formula: C13H18N3O2S+ MolecularWeight: 280.36592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N3O2S/c1-3-4-5-6-14-11(17)10-7-15-13-16(12(10)18)9(2)8-19-13/h7-8H,3-6H2,1-2H3,(H,14,17)/p+1