(4-benzamidophenyl) 2-cyclopropyl-4,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: (4-benzamidophenyl) 2-cyclopropyl-4,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: (4-benzamidophenyl) 2-cyclopropyl-4,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-cyclopropyl-4,5-dimethyl-6-thieno[2,3-d]pyrimidinecarboxylic acid (4-benzamidophenyl) ester IUPAC Name: (4-benzamidophenyl) 2-cyclopropyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-cyclopropyl-4,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylic acid (4-benzamidophenyl) ester Formula: C25H21N3O3S MolecularWeight: 443.51754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)C)C3CC3)C(=O)OC4=CC=C(C=C4)NC(=O)C5=CC=CC=C5

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)C)C3CC3)C(=O)OC4=CC=C(C=C4)NC(=O)C5=CC=CC=C5

InChI

InChI=1S/C25H21N3O3S/c1-14-20-15(2)26-22(16-8-9-16)28-24(20)32-21(14)25(30)31-19-12-10-18(11-13-19)27-23(29)17-6-4-3-5-7-17/h3-7,10-13,16H,8-9H2,1-2H3,(H,27,29)