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

Systemtic Name: (phenylmethyl) 4-[(3,4-dimethylphenyl)amino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: benzyl 4-(3,4-dimethylanilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-(3,4-dimethylanilino)-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(3,4-dimethylanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(3,4-dimethylanilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid benzyl ester Formula: C23H21N3O2S MolecularWeight: 403.49674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=C3C(=C(SC3=NC=N2)C(=O)OCC4=CC=CC=C4)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=C3C(=C(SC3=NC=N2)C(=O)OCC4=CC=CC=C4)C)C

InChI

InChI=1S/C23H21N3O2S/c1-14-9-10-18(11-15(14)2)26-21-19-16(3)20(29-22(19)25-13-24-21)23(27)28-12-17-7-5-4-6-8-17/h4-11,13H,12H2,1-3H3,(H,24,25,26)