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

Systemtic Name: 5-oxidanylidene-N-[(2S)-pentan-2-yl]-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide Openeye Name: N-[(1S)-1-methylbutyl]-5-oxo-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide CAS Name: 5-oxo-N-[(2S)-pentan-2-yl]-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide IUPAC Name: 5-oxo-N-[(2S)-pentan-2-yl]-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide Traditional Name: 5-keto-N-[(1S)-1-methylbutyl]-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide Formula: C12H16N3O2S+ MolecularWeight: 266.33934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15N3O2S/c1-3-4-8(2)14-10(16)9-7-13-12-15(11(9)17)5-6-18-12/h5-8H,3-4H2,1-2H3,(H,14,16)/p+1/t8-/m0/s1