methyl 5-(2-methoxy-2-oxidanylidene-ethyl)-4-oxidanylidene-2-(piperidin-1-ium-1-ylmethyl)-3H-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: methyl 5-(2-methoxy-2-oxidanylidene-ethyl)-4-oxidanylidene-2-(piperidin-1-ium-1-ylmethyl)-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: methyl 5-(2-methoxy-2-oxo-ethyl)-4-oxo-2-(piperidin-1-ium-1-ylmethyl)-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-(2-methoxy-2-oxoethyl)-4-oxo-2-(1-piperidin-1-iumylmethyl)-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester IUPAC Name: methyl 5-(2-methoxy-2-oxoethyl)-4-oxo-2-(piperidin-1-ium-1-ylmethyl)-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-5-(2-keto-2-methoxy-ethyl)-2-(piperidin-1-ium-1-ylmethyl)-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester Formula: C17H22N3O5S+ MolecularWeight: 380.43868

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=C(SC2=C1C(=O)NC(=N2)C[NH+]3CCCCC3)C(=O)OC

Isomeric SMILES

COC(=O)CC1=C(SC2=C1C(=O)NC(=N2)C[NH+]3CCCCC3)C(=O)OC

InChI

InChI=1S/C17H21N3O5S/c1-24-12(21)8-10-13-15(22)18-11(9-20-6-4-3-5-7-20)19-16(13)26-14(10)17(23)25-2/h3-9H2,1-2H3,(H,18,19,22)/p+1