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

Systemtic Name: methyl 1-[(4-oxidanylidene-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]piperidine-4-carboxylate Openeye Name: methyl 1-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]piperidine-4-carboxylate CAS Name: 1-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]piperidine-4-carboxylate Traditional Name: 1-[(4-keto-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]isonipecotic acid methyl ester Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O3S/c1-26-20(25)14-7-9-23(10-8-14)11-16-21-18(24)17-15(12-27-19(17)22-16)13-5-3-2-4-6-13/h2-6,12,14H,7-11H2,1H3,(H,21,22,24)