3-methyl-5-oxidanylidene-N-[(2S)-pentan-2-yl]-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide

Systemtic Name: 3-methyl-5-oxidanylidene-N-[(2S)-pentan-2-yl]-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide Openeye Name: 3-methyl-N-[(1S)-1-methylbutyl]-5-oxo-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide CAS Name: 3-methyl-5-oxo-N-[(2S)-pentan-2-yl]-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide IUPAC Name: 3-methyl-5-oxo-N-[(2S)-pentan-2-yl]-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide Traditional Name: 5-keto-3-methyl-N-[(1S)-1-methylbutyl]-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:

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

Isomeric SMILES

CCC[C@H](C)NC(=O)C1=CNC2=[N+](C1=O)C(=CS2)C

InChI

InChI=1S/C13H17N3O2S/c1-4-5-8(2)15-11(17)10-6-14-13-16(12(10)18)9(3)7-19-13/h6-8H,4-5H2,1-3H3,(H,15,17)/p+1/t8-/m0/s1