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

Systemtic Name: (phenylmethyl) 4-[(4-ethoxyphenyl)amino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: benzyl 4-(4-ethoxyanilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-(4-ethoxyanilino)-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(4-ethoxyanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 5-methyl-4-(p-phenetidino)thieno[2,3-d]pyrimidine-6-carboxylic acid benzyl ester Formula: C23H21N3O3S MolecularWeight: 419.49614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC2=C3C(=C(SC3=NC=N2)C(=O)OCC4=CC=CC=C4)C

Isomeric SMILES

CCOC1=CC=C(C=C1)NC2=C3C(=C(SC3=NC=N2)C(=O)OCC4=CC=CC=C4)C

InChI

InChI=1S/C23H21N3O3S/c1-3-28-18-11-9-17(10-12-18)26-21-19-15(2)20(30-22(19)25-14-24-21)23(27)29-13-16-7-5-4-6-8-16/h4-12,14H,3,13H2,1-2H3,(H,24,25,26)