methyl 5-methyl-2-(6-morpholin-4-ylpyridin-1-ium-3-yl)-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: methyl 5-methyl-2-(6-morpholin-4-ylpyridin-1-ium-3-yl)-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: methyl 5-methyl-2-(6-morpholinopyridin-1-ium-3-yl)-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-2-[6-(4-morpholinyl)-3-pyridin-1-iumyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester IUPAC Name: methyl 5-methyl-2-(6-morpholin-4-ylpyridin-1-ium-3-yl)-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-5-methyl-2-(6-morpholinopyridin-1-ium-3-yl)-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester Formula: C18H19N4O4S+ MolecularWeight: 387.43286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)C3=C[NH+]=C(C=C3)N4CCOCC4)C(=O)OC

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)C3=C[NH+]=C(C=C3)N4CCOCC4)C(=O)OC

InChI

InChI=1S/C18H18N4O4S/c1-10-13-16(23)20-15(21-17(13)27-14(10)18(24)25-2)11-3-4-12(19-9-11)22-5-7-26-8-6-22/h3-4,9H,5-8H2,1-2H3,(H,20,21,23)/p+1