methyl 5-(2-methoxy-2-oxidanylidene-ethyl)-2-(morpholin-4-ium-4-ylmethyl)-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: methyl 5-(2-methoxy-2-oxidanylidene-ethyl)-2-(morpholin-4-ium-4-ylmethyl)-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: methyl 5-(2-methoxy-2-oxo-ethyl)-2-(morpholin-4-ium-4-ylmethyl)-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-(2-methoxy-2-oxoethyl)-2-(4-morpholin-4-iumylmethyl)-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester IUPAC Name: methyl 5-(2-methoxy-2-oxoethyl)-2-(morpholin-4-ium-4-ylmethyl)-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-5-(2-keto-2-methoxy-ethyl)-2-(morpholin-4-ium-4-ylmethyl)-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester Formula: C16H20N3O6S+ MolecularWeight: 382.4115

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=C(SC2=C1C(=O)NC(=N2)C[NH+]3CCOCC3)C(=O)OC

Isomeric SMILES

COC(=O)CC1=C(SC2=C1C(=O)NC(=N2)C[NH+]3CCOCC3)C(=O)OC

InChI

InChI=1S/C16H19N3O6S/c1-23-11(20)7-9-12-14(21)17-10(8-19-3-5-25-6-4-19)18-15(12)26-13(9)16(22)24-2/h3-8H2,1-2H3,(H,17,18,21)/p+1