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

Systemtic Name: methyl 5-methyl-4-[(4-phenoxyphenyl)amino]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: methyl 5-methyl-4-(4-phenoxyanilino)thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-(4-phenoxyanilino)-6-thieno[2,3-d]pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-4-(4-phenoxyanilino)thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 5-methyl-4-(4-phenoxyanilino)thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester Formula: C21H17N3O3S MolecularWeight: 391.44298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)NC3=CC=C(C=C3)OC4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)NC3=CC=C(C=C3)OC4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C21H17N3O3S/c1-13-17-19(22-12-23-20(17)28-18(13)21(25)26-2)24-14-8-10-16(11-9-14)27-15-6-4-3-5-7-15/h3-12H,1-2H3,(H,22,23,24)