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

Systemtic Name: ethyl 1-[(4-oxidanylidene-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[(4-oxo-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]piperidine-3-carboxylate CAS Name: 1-[(4-oxo-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(4-oxo-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]piperidine-3-carboxylate Traditional Name: 1-[(4-keto-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]nipecotic acid ethyl ester Formula: C21H23N3O3S MolecularWeight: 397.49062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)CC2=NC3=C(C=C(S3)C4=CC=CC=C4)C(=O)N2

Isomeric SMILES

CCOC(=O)C1CCCN(C1)CC2=NC3=C(C=C(S3)C4=CC=CC=C4)C(=O)N2

InChI

InChI=1S/C21H23N3O3S/c1-2-27-21(26)15-9-6-10-24(12-15)13-18-22-19(25)16-11-17(28-20(16)23-18)14-7-4-3-5-8-14/h3-5,7-8,11,15H,2,6,9-10,12-13H2,1H3,(H,22,23,25)