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

Systemtic Name: ethyl 4-(4-imidazol-1-ylphenoxy)-5-methyl-2-(piperidin-1-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 4-(4-imidazol-1-ylphenoxy)-5-methyl-2-(1-piperidylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-[4-(1-imidazolyl)phenoxy]-5-methyl-2-(1-piperidinylmethyl)-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-imidazol-1-ylphenoxy)-5-methyl-2-(piperidin-1-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(4-imidazol-1-ylphenoxy)-5-methyl-2-(piperidinomethyl)thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C25H27N5O3S MolecularWeight: 477.57858

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)CN3CCCCC3)OC4=CC=C(C=C4)N5C=CN=C5)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)CN3CCCCC3)OC4=CC=C(C=C4)N5C=CN=C5)C

InChI

InChI=1S/C25H27N5O3S/c1-3-32-25(31)22-17(2)21-23(33-19-9-7-18(8-10-19)30-14-11-26-16-30)27-20(28-24(21)34-22)15-29-12-5-4-6-13-29/h7-11,14,16H,3-6,12-13,15H2,1-2H3