(5-oxidanylidene-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methyl 3-azanylpyrazine-2-carboxylate

Systemtic Name: (5-oxidanylidene-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methyl 3-azanylpyrazine-2-carboxylate Openeye Name: (5-oxo-8H-thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methyl 3-aminopyrazine-2-carboxylate CAS Name: 3-amino-2-pyrazinecarboxylic acid (5-oxo-8H-thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methyl ester IUPAC Name: (5-oxo-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methyl 3-aminopyrazine-2-carboxylate Traditional Name: 3-aminopyrazinic acid (5-keto-8H-thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methyl ester Formula: C12H10N5O3S+ MolecularWeight: 304.3045

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(C(=N1)C(=O)OCC2=CC(=O)[N+]3=C(N2)SC=C3)N

Isomeric SMILES

C1=CN=C(C(=N1)C(=O)OCC2=CC(=O)[N+]3=C(N2)SC=C3)N

InChI

InChI=1S/C12H9N5O3S/c13-10-9(14-1-2-15-10)11(19)20-6-7-5-8(18)17-3-4-21-12(17)16-7/h1-5H,6H2,(H2,13,15,19)/p+1