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

Systemtic Name: 2-methoxyethyl 2-[(4-aminocarbonylpiperidin-1-ium-1-yl)methyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 2-methoxyethyl 2-[(4-carbamoylpiperidin-1-ium-1-yl)methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[(4-carbamoyl-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-carbamoylpiperidin-1-ium-1-yl)methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[(4-carbamoylpiperidin-1-ium-1-yl)methyl]-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid 2-methoxyethyl ester Formula: C18H25N4O5S+ MolecularWeight: 409.4799

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)C[NH+]3CCC(CC3)C(=O)N)C(=O)OCCOC

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)C[NH+]3CCC(CC3)C(=O)N)C(=O)OCCOC

InChI

InChI=1S/C18H24N4O5S/c1-10-13-16(24)20-12(9-22-5-3-11(4-6-22)15(19)23)21-17(13)28-14(10)18(25)27-8-7-26-2/h11H,3-9H2,1-2H3,(H2,19,23)(H,20,21,24)/p+1