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

Systemtic Name: 2-methoxyethyl 2-[(4-ethoxycarbonylpiperidin-1-ium-1-yl)methyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 2-methoxyethyl 2-[(4-ethoxycarbonylpiperidin-1-ium-1-yl)methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[(4-ethoxycarbonyl-1-piperidin-1-iumyl)methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 2-[(4-ethoxycarbonylpiperidin-1-ium-1-yl)methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[(4-carbethoxypiperidin-1-ium-1-yl)methyl]-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid 2-methoxyethyl ester Formula: C20H28N3O6S+ MolecularWeight: 438.51782

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CC2=NC3=C(C(=C(S3)C(=O)OCCOC)C)C(=O)N2

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CC2=NC3=C(C(=C(S3)C(=O)OCCOC)C)C(=O)N2

InChI

InChI=1S/C20H27N3O6S/c1-4-28-19(25)13-5-7-23(8-6-13)11-14-21-17(24)15-12(2)16(30-18(15)22-14)20(26)29-10-9-27-3/h13H,4-11H2,1-3H3,(H,21,22,24)/p+1