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

Systemtic Name: propan-2-yl 5-methyl-4-[(4-phenoxyphenyl)amino]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 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 isopropyl ester Formula: C23H21N3O3S MolecularWeight: 419.49614

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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(C)C

Isomeric SMILES

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

InChI

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