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

Systemtic Name: ethyl 5-methyl-4-[(4-pentoxyphenyl)amino]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 5-methyl-4-(4-pentoxyanilino)thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-(4-pentoxyanilino)-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-4-(4-pentoxyanilino)thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(4-amoxyanilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C21H25N3O3S MolecularWeight: 399.5065

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)NC2=C3C(=C(SC3=NC=N2)C(=O)OCC)C

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)NC2=C3C(=C(SC3=NC=N2)C(=O)OCC)C

InChI

InChI=1S/C21H25N3O3S/c1-4-6-7-12-27-16-10-8-15(9-11-16)24-19-17-14(3)18(21(25)26-5-2)28-20(17)23-13-22-19/h8-11,13H,4-7,12H2,1-3H3,(H,22,23,24)