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

Systemtic Name: methyl 5-methyl-4-[(4-phenylmethoxyphenyl)amino]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: methyl 4-(4-benzyloxyanilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-(4-phenylmethoxyanilino)-6-thieno[2,3-d]pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-4-(4-phenylmethoxyanilino)thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(4-benzoxyanilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester Formula: C22H19N3O3S MolecularWeight: 405.46956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)NC3=CC=C(C=C3)OCC4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)NC3=CC=C(C=C3)OCC4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C22H19N3O3S/c1-14-18-20(23-13-24-21(18)29-19(14)22(26)27-2)25-16-8-10-17(11-9-16)28-12-15-6-4-3-5-7-15/h3-11,13H,12H2,1-2H3,(H,23,24,25)