6-methoxycarbonyl-5-(2-methoxy-2-oxidanylidene-ethyl)-2-[(4-oxidanylpiperidin-1-ium-1-yl)methyl]thieno[2,3-d]pyrimidin-4-olate

Systemtic Name: 6-methoxycarbonyl-5-(2-methoxy-2-oxidanylidene-ethyl)-2-[(4-oxidanylpiperidin-1-ium-1-yl)methyl]thieno[2,3-d]pyrimidin-4-olate Openeye Name: 2-[(4-hydroxypiperidin-1-ium-1-yl)methyl]-6-methoxycarbonyl-5-(2-methoxy-2-oxo-ethyl)thieno[2,3-d]pyrimidin-4-olate CAS Name: 2-[(4-hydroxy-1-piperidin-1-iumyl)methyl]-6-methoxycarbonyl-5-(2-methoxy-2-oxoethyl)-4-thieno[2,3-d]pyrimidinolate IUPAC Name: 2-[(4-hydroxypiperidin-1-ium-1-yl)methyl]-6-methoxycarbonyl-5-(2-methoxy-2-oxoethyl)thieno[2,3-d]pyrimidin-4-olate Traditional Name: 6-carbomethoxy-2-[(4-hydroxypiperidin-1-ium-1-yl)methyl]-5-(2-keto-2-methoxy-ethyl)thieno[2,3-d]pyrimidin-4-olate Formula: C17H21N3O6S MolecularWeight: 395.43014

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=C(SC2=NC(=NC(=C12)[O-])C[NH+]3CCC(CC3)O)C(=O)OC

Isomeric SMILES

COC(=O)CC1=C(SC2=NC(=NC(=C12)[O-])C[NH+]3CCC(CC3)O)C(=O)OC

InChI

InChI=1S/C17H21N3O6S/c1-25-12(22)7-10-13-15(23)18-11(8-20-5-3-9(21)4-6-20)19-16(13)27-14(10)17(24)26-2/h9,21H,3-8H2,1-2H3,(H,18,19,23)