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

Systemtic Name: ethyl 5-methyl-2-(piperidin-1-ylmethyl)-4-pyridin-3-yloxy-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 5-methyl-2-(1-piperidylmethyl)-4-(3-pyridyloxy)thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-2-(1-piperidinylmethyl)-4-(3-pyridinyloxy)-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-2-(piperidin-1-ylmethyl)-4-pyridin-3-yloxythieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 5-methyl-2-(piperidinomethyl)-4-(3-pyridyloxy)thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C21H24N4O3S MolecularWeight: 412.50526

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O3S/c1-3-27-21(26)18-14(2)17-19(28-15-8-7-9-22-12-15)23-16(24-20(17)29-18)13-25-10-5-4-6-11-25/h7-9,12H,3-6,10-11,13H2,1-2H3