3-methyl-5-oxidanyl-N-[(2R)-1-oxidanylbutan-2-yl]-7-oxidanylidene-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide

Systemtic Name: 3-methyl-5-oxidanyl-N-[(2R)-1-oxidanylbutan-2-yl]-7-oxidanylidene-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide Openeye Name: 5-hydroxy-N-[(1R)-1-(hydroxymethyl)propyl]-3-methyl-7-oxo-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide CAS Name: 5-hydroxy-N-[(2R)-1-hydroxybutan-2-yl]-3-methyl-7-oxo-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide IUPAC Name: 5-hydroxy-N-[(2R)-1-hydroxybutan-2-yl]-3-methyl-7-oxo-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide Traditional Name: 5-hydroxy-7-keto-3-methyl-N-[(1R)-1-methylolpropyl]-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide Formula: C12H16N3O4S+ MolecularWeight: 298.33814

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)NC(=O)C1=C([N+]2=C(NC1=O)SC=C2C)O

Isomeric SMILES

CC[C@H](CO)NC(=O)C1=C([N+]2=C(NC1=O)SC=C2C)O

InChI

InChI=1S/C12H15N3O4S/c1-3-7(4-16)13-9(17)8-10(18)14-12-15(11(8)19)6(2)5-20-12/h5,7,16H,3-4H2,1-2H3,(H2,13,17,18,19)/p+1/t7-/m1/s1