(4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 1-(4-fluorophenyl)carbonylpiperidine-4-carboxylate

Systemtic Name: (4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 1-(4-fluorophenyl)carbonylpiperidine-4-carboxylate Openeye Name: (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 1-(4-fluorobenzoyl)piperidine-4-carboxylate CAS Name: 1-[(4-fluorophenyl)-oxomethyl]-4-piperidinecarboxylic acid (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl ester IUPAC Name: (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 1-(4-fluorobenzoyl)piperidine-4-carboxylate Traditional Name: 1-(4-fluorobenzoyl)isonipecotic acid (4-keto-1H-thieno[3,2-d]pyrimidin-2-yl)methyl ester Formula: C20H18FN3O4S MolecularWeight: 415.438023

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC2=NC(=O)C3=C(N2)C=CS3)C(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CCC1C(=O)OCC2=NC(=O)C3=C(N2)C=CS3)C(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C20H18FN3O4S/c21-14-3-1-12(2-4-14)19(26)24-8-5-13(6-9-24)20(27)28-11-16-22-15-7-10-29-17(15)18(25)23-16/h1-4,7,10,13H,5-6,8-9,11H2,(H,22,23,25)