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

Systemtic Name: ethyl 1-(5,6-dimethyl-2-phenethyl-thieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxylate Openeye Name: ethyl 1-(5,6-dimethyl-2-phenethyl-thieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxylate CAS Name: 1-(5,6-dimethyl-2-phenethyl-4-thieno[2,3-d]pyrimidinyl)-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(5,6-dimethyl-2-phenethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxylate Traditional Name: 1-(5,6-dimethyl-2-phenethyl-thieno[2,3-d]pyrimidin-4-yl)nipecotic acid ethyl ester Formula: C24H29N3O2S MolecularWeight: 423.57096

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C2=C3C(=C(SC3=NC(=N2)CCC4=CC=CC=C4)C)C

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C2=C3C(=C(SC3=NC(=N2)CCC4=CC=CC=C4)C)C

InChI

InChI=1S/C24H29N3O2S/c1-4-29-24(28)19-11-8-14-27(15-19)22-21-16(2)17(3)30-23(21)26-20(25-22)13-12-18-9-6-5-7-10-18/h5-7,9-10,19H,4,8,11-15H2,1-3H3