ethyl 2,5-dimethyl-4-[(4-phenoxyphenyl)amino]thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 2,5-dimethyl-4-[(4-phenoxyphenyl)amino]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 2,5-dimethyl-4-(4-phenoxyanilino)thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2,5-dimethyl-4-(4-phenoxyanilino)-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2,5-dimethyl-4-(4-phenoxyanilino)thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2,5-dimethyl-4-(4-phenoxyanilino)thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C23H21N3O3S MolecularWeight: 419.49614

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)C)NC3=CC=C(C=C3)OC4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)C)NC3=CC=C(C=C3)OC4=CC=CC=C4)C

InChI

InChI=1S/C23H21N3O3S/c1-4-28-23(27)20-14(2)19-21(24-15(3)25-22(19)30-20)26-16-10-12-18(13-11-16)29-17-8-6-5-7-9-17/h5-13H,4H2,1-3H3,(H,24,25,26)