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

Systemtic Name: 2-methoxyethyl 5-methyl-2-(morpholin-4-ium-4-ylmethyl)-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 2-methoxyethyl 5-methyl-2-(morpholin-4-ium-4-ylmethyl)-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-2-(4-morpholin-4-iumylmethyl)-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 5-methyl-2-(morpholin-4-ium-4-ylmethyl)-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-5-methyl-2-(morpholin-4-ium-4-ylmethyl)-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid 2-methoxyethyl ester Formula: C16H22N3O5S+ MolecularWeight: 368.42798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O5S/c1-10-12-14(20)17-11(9-19-3-5-23-6-4-19)18-15(12)25-13(10)16(21)24-8-7-22-2/h3-9H2,1-2H3,(H,17,18,20)/p+1