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

Systemtic Name: ethyl 2-(2-methoxy-2-oxidanylidene-ethyl)-5-methyl-4-[(4-phenoxyphenyl)amino]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 2-(2-methoxy-2-oxo-ethyl)-5-methyl-4-(4-phenoxyanilino)thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-(2-methoxy-2-oxoethyl)-5-methyl-4-(4-phenoxyanilino)-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(2-methoxy-2-oxoethyl)-5-methyl-4-(4-phenoxyanilino)thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-(2-keto-2-methoxy-ethyl)-5-methyl-4-(4-phenoxyanilino)thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C25H23N3O5S MolecularWeight: 477.53222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H23N3O5S/c1-4-32-25(30)22-15(2)21-23(27-19(14-20(29)31-3)28-24(21)34-22)26-16-10-12-18(13-11-16)33-17-8-6-5-7-9-17/h5-13H,4,14H2,1-3H3,(H,26,27,28)