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

Systemtic Name: ethyl 5-methyl-4-[(4-piperidin-1-ylphenyl)amino]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 5-methyl-4-[4-(1-piperidyl)anilino]thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-[4-(1-piperidinyl)anilino]-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-4-(4-piperidin-1-ylanilino)thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 5-methyl-4-(4-piperidinoanilino)thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N=CN=C2S1)NC3=CC=C(C=C3)N4CCCCC4)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=CN=C2S1)NC3=CC=C(C=C3)N4CCCCC4)C

InChI

InChI=1S/C21H24N4O2S/c1-3-27-21(26)18-14(2)17-19(22-13-23-20(17)28-18)24-15-7-9-16(10-8-15)25-11-5-4-6-12-25/h7-10,13H,3-6,11-12H2,1-2H3,(H,22,23,24)