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

Systemtic Name: ethyl 1-(2-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylate Openeye Name: ethyl 1-(2-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylate CAS Name: 1-(2-methyl-5-phenyl-4-thieno[2,3-d]pyrimidinyl)-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylate Traditional Name: 1-(2-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)isonipecotic acid ethyl ester Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=C3C(=CSC3=NC(=N2)C)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=C3C(=CSC3=NC(=N2)C)C4=CC=CC=C4

InChI

InChI=1S/C21H23N3O2S/c1-3-26-21(25)16-9-11-24(12-10-16)19-18-17(15-7-5-4-6-8-15)13-27-20(18)23-14(2)22-19/h4-8,13,16H,3,9-12H2,1-2H3