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

Systemtic Name: ethyl 4-[(3-methoxyphenyl)amino]-5-methyl-2-(piperidin-1-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 4-(3-methoxyanilino)-5-methyl-2-(1-piperidylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-(3-methoxyanilino)-5-methyl-2-(1-piperidinylmethyl)-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3-methoxyanilino)-5-methyl-2-(piperidin-1-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(m-anisidino)-5-methyl-2-(piperidinomethyl)thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C23H28N4O3S MolecularWeight: 440.55842

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)CN3CCCCC3)NC4=CC(=CC=C4)OC)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)CN3CCCCC3)NC4=CC(=CC=C4)OC)C

InChI

InChI=1S/C23H28N4O3S/c1-4-30-23(28)20-15(2)19-21(24-16-9-8-10-17(13-16)29-3)25-18(26-22(19)31-20)14-27-11-6-5-7-12-27/h8-10,13H,4-7,11-12,14H2,1-3H3,(H,24,25,26)