ethyl 4-(1,3-benzodioxol-5-yloxy)-5-methyl-2-(piperidin-1-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 4-(1,3-benzodioxol-5-yloxy)-5-methyl-2-(piperidin-1-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 4-(1,3-benzodioxol-5-yloxy)-5-methyl-2-(1-piperidylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-(1,3-benzodioxol-5-yloxy)-5-methyl-2-(1-piperidinylmethyl)-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(1,3-benzodioxol-5-yloxy)-5-methyl-2-(piperidin-1-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(1,3-benzodioxol-5-yloxy)-5-methyl-2-(piperidinomethyl)thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C23H25N3O5S MolecularWeight: 455.5267

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)CN3CCCCC3)OC4=CC5=C(C=C4)OCO5)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)CN3CCCCC3)OC4=CC5=C(C=C4)OCO5)C

InChI

InChI=1S/C23H25N3O5S/c1-3-28-23(27)20-14(2)19-21(31-15-7-8-16-17(11-15)30-13-29-16)24-18(25-22(19)32-20)12-26-9-5-4-6-10-26/h7-8,11H,3-6,9-10,12-13H2,1-2H3