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

Systemtic Name: ethyl 4-[(4-ethoxyphenyl)amino]-5-methyl-2-(phenylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 2-benzyl-4-(4-ethoxyanilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-(4-ethoxyanilino)-5-methyl-2-(phenylmethyl)-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-benzyl-4-(4-ethoxyanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-benzyl-5-methyl-4-(p-phenetidino)thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C25H25N3O3S MolecularWeight: 447.5493

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC2=C3C(=C(SC3=NC(=N2)CC4=CC=CC=C4)C(=O)OCC)C

Isomeric SMILES

CCOC1=CC=C(C=C1)NC2=C3C(=C(SC3=NC(=N2)CC4=CC=CC=C4)C(=O)OCC)C

InChI

InChI=1S/C25H25N3O3S/c1-4-30-19-13-11-18(12-14-19)26-23-21-16(3)22(25(29)31-5-2)32-24(21)28-20(27-23)15-17-9-7-6-8-10-17/h6-14H,4-5,15H2,1-3H3,(H,26,27,28)