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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15N3O2S/c1-4-7(2)14-10(16)9-5-13-12-15(11(9)17)8(3)6-18-12/h5-7H,4H2,1-3H3,(H,14,16)/p+1/t7-/m0/s1