ethyl 1-[[5-(furan-2-yl)-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[[5-(furan-2-yl)-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[[5-(2-furyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]piperidine-4-carboxylate CAS Name: 1-[[5-(2-furanyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[5-(furan-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]piperidine-4-carboxylate Traditional Name: 1-[[5-(2-furyl)-4-keto-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]isonipecotic acid ethyl ester Formula: C19H21N3O4S MolecularWeight: 387.45274

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)CC2=NC3=C(C(=CS3)C4=CC=CO4)C(=O)N2

Isomeric SMILES

CCOC(=O)C1CCN(CC1)CC2=NC3=C(C(=CS3)C4=CC=CO4)C(=O)N2

InChI

InChI=1S/C19H21N3O4S/c1-2-25-19(24)12-5-7-22(8-6-12)10-15-20-17(23)16-13(11-27-18(16)21-15)14-4-3-9-26-14/h3-4,9,11-12H,2,5-8,10H2,1H3,(H,20,21,23)