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

Systemtic Name: ethyl 5-methyl-4-[(4-phenoxyphenyl)amino]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 5-methyl-4-(4-phenoxyanilino)thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-(4-phenoxyanilino)-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-4-(4-phenoxyanilino)thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 5-methyl-4-(4-phenoxyanilino)thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C22H19N3O3S MolecularWeight: 405.46956

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19N3O3S/c1-3-27-22(26)19-14(2)18-20(23-13-24-21(18)29-19)25-15-9-11-17(12-10-15)28-16-7-5-4-6-8-16/h4-13H,3H2,1-2H3,(H,23,24,25)