ethyl 1-[(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]piperidine-4-carboxylate CAS Name: 1-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]piperidine-4-carboxylate Traditional Name: 1-[(4-keto-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]isonipecotic acid ethyl ester Formula: C17H23N3O3S MolecularWeight: 349.44782

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)CC2=NC3=C(C(=C(S3)C)C)C(=O)N2

Isomeric SMILES

CCOC(=O)C1CCN(CC1)CC2=NC3=C(C(=C(S3)C)C)C(=O)N2

InChI

InChI=1S/C17H23N3O3S/c1-4-23-17(22)12-5-7-20(8-6-12)9-13-18-15(21)14-10(2)11(3)24-16(14)19-13/h12H,4-9H2,1-3H3,(H,18,19,21)