methyl 1-[2-(4-oxidanylidene-6-phenyl-thieno[2,3-d]pyrimidin-3-yl)ethanoyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-(4-oxidanylidene-6-phenyl-thieno[2,3-d]pyrimidin-3-yl)ethanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-(4-oxo-6-phenyl-thieno[2,3-d]pyrimidin-3-yl)acetyl]piperidine-4-carboxylate CAS Name: 1-[1-oxo-2-(4-oxo-6-phenyl-3-thieno[2,3-d]pyrimidinyl)ethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-(4-keto-6-phenyl-thieno[2,3-d]pyrimidin-3-yl)acetyl]isonipecotic acid methyl ester Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C(=O)CN2C=NC3=C(C2=O)C=C(S3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1CCN(CC1)C(=O)CN2C=NC3=C(C2=O)C=C(S3)C4=CC=CC=C4

InChI

InChI=1S/C21H21N3O4S/c1-28-21(27)15-7-9-23(10-8-15)18(25)12-24-13-22-19-16(20(24)26)11-17(29-19)14-5-3-2-4-6-14/h2-6,11,13,15H,7-10,12H2,1H3